Standard Article

General and Theoretical Aspects of Phenols

Phenols (2003)

  1. Minh Tho Nguyen1,
  2. Eugene S. Kryachko2,3,†,
  3. Luc G. Vanquickenborne4

Published Online: 15 DEC 2009

DOI: 10.1002/9780470682531.pat0277

Patai's Chemistry of Functional Groups

Patai's Chemistry of Functional Groups

How to Cite

Nguyen, M. T., Kryachko, E. S. and Vanquickenborne, L. G. 2009. General and Theoretical Aspects of Phenols. Patai's Chemistry of Functional Groups. .

Author Information

  1. 1

    University of Leuven, Department of Chemistry, Leuven, Belgium

  2. 2

    University of Leuven, Department of Chemistry, Belgium

  3. 3

    Limburgs Universitaire Centrum, Departement SBG, Diepenbeek, Belgium

  4. 4

    University of Leuven, Department of Chemistry, Leuven, Belgium

  1. On leave of absence from Bogoliubov Institute for Theoretical Physics, Kiev, 03143 Ukraine.

Publication History

  1. Published Online: 15 DEC 2009

Abstract

  • 1
    Introduction
  • 2
    Molecular Structure and Bonding of Phenol
  • 3
    Structures and Properties of Substituted Phenols
  • 4
    Energetics of some Fundamental Processes
  • 5
    Hydrogen Bonding Abilities of Phenols
  • 6
    Open Theoretical Problems
  • 7
    Acknowledgements

Keywords:

  • phenol physico-chemical properties;
  • phenol chemistry;
  • molecular structure and phenol bonding;
  • ground-state phenol AIM properties;
  • protonation - important chemical process;
  • potential energy surface (PES) and protonated phenol species;
  • anisole and fluoroanisoles proton affinities;
  • phenol hydrogen bonding abilities

Featured Compounds

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  1. 1 - 36
Compound 26
Molecular Weight:94.1112
Molecular Formula:C6H6O
InChIKey:ISWSIDIOOBJBQZ-UHFFFAOYSA-N
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Compound 27
Molecular Weight:94.1112
Molecular Formula:C6H6O
InChIKey:ISWSIDIOOBJBQZ-UHFFFAOYSA-N
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Compound 1
Molecular Weight:150.2176
Molecular Formula:C10H14O
InChIKey:MGSRCZKZVOBKFT-UHFFFAOYSA-N
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Compound 2
Molecular Weight:150.2176
Molecular Formula:C10H14O
InChIKey:RECUKUPTGUEGMW-UHFFFAOYSA-N
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Compound 3
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 4
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 5
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 6
Molecular Weight:168.1467
Molecular Formula:C8H8O4
InChIKey:AMKYESDOVDKZKV-UHFFFAOYSA-N
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Compound 7
Molecular Weight:168.1467
Molecular Formula:C8H8O4
InChIKey:XLEYFDVVXLMULC-UHFFFAOYSA-N
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Compound 8
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 9
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 10a
Molecular Weight:148.1586
Molecular Formula:C9H8O2
InChIKey:WBYWAXJHAXSJNI-VOTSOKGWSA-N
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Compound 10b
Molecular Weight:164.158
Molecular Formula:C9H8O3
InChIKey:NGSWKAQJJWESNS-ZZXKWVIFSA-N
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Compound 10c
Molecular Weight:180.1574
Molecular Formula:C9H8O4
InChIKey:QAIPRVGONGVQAS-DUXPYHPUSA-N
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Compound 10d
Molecular Weight:196.1568
Molecular Formula:C9H8O5
InChIKey:ACEAELOMUCBPJP-OWOJBTEDSA-N
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Compound 10
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 11
Molecular Weight:366.0791
Molecular Formula:C12H12As2N2O2
InChIKey:ZCZNGRXPMRPERV-UHFFFAOYSA-N
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Compound 12
Molecular Weight:446.097
Molecular Formula:C14H13As2N2NaO4
InChIKey:GVCLZWUHBNFLBE-UHFFFAOYSA-M
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Compound 13
Molecular Weight:430.7061
Molecular Formula:C29H50O2
InChIKey:Not Available
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Compound 14
Molecular Weight:865.3594
Molecular Formula:C59H92O4
InChIKey:QNTNKSLOFHEFPK-UPTCCGCDSA-N
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Compound 15
Molecular Weight:372.3686
Molecular Formula:C20H20O7
InChIKey:OJVGWDJIYBTWDS-ROBKBVBWSA-N
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Compound 16
Molecular Weight:180.2005
Molecular Formula:C10H12O3
InChIKey:JMFRWRFFLBVWSI-NSCUHMNNSA-N
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Compound 17
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 28
Molecular Weight:94.1112
Molecular Formula:C6H6O
InChIKey:ISWSIDIOOBJBQZ-UHFFFAOYSA-N
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Compound 18
Molecular Weight:93.1033
Molecular Formula:C6H5O
InChIKey:ISWSIDIOOBJBQZ-UHFFFAOYSA-N
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Compound 45
Molecular Weight:173.007
Molecular Formula:C6H5BrO
InChIKey:GZFGOTFRPZRKDS-UHFFFAOYSA-N
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Compound 19
Molecular Weight:122.1644
Molecular Formula:C8H10O
InChIKey:YKDJBIPPVNMAGR-UHFFFAOYSA-N
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Compound 20
Molecular Weight:122.1644
Molecular Formula:C8H10O
InChIKey:VSNLNLVROSQGIA-UHFFFAOYSA-N
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Compound 23
Molecular Weight:94.1107
Molecular Formula:C6H5O
InChIKey:ISWSIDIOOBJBQZ-UHFFFAOYSA-O
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Compound 21a
Molecular Weight:94.1107
Molecular Formula:C6H6O
InChIKey:KKONZZHICOLDPX-UHFFFAOYSA-N
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Compound 25
Molecular Weight:94.1107
Molecular Formula:C6H7O
InChIKey:DGPFGPZEPOWJKN-UHFFFAOYSA-N
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Compound 46
Molecular Weight:187.034
Molecular Formula:C7H7BrO
InChIKey:QJPJQTDYNZXKQF-UHFFFAOYSA-N
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Compound 47
Molecular Weight:174.015
Molecular Formula:C6H6BrO
InChIKey:CONPGFLFMZQICS-UHFFFAOYSA-N
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Compound 48
Molecular Weight:188.041
Molecular Formula:C7H8BrO
InChIKey:VADJJWJNYOJUEP-UHFFFAOYSA-N
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Compound 50
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 49
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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