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    CAS 371-41-5

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 371-41-5, P-fluorophenol, Phenol, 4-fluoro-, Phenol, p-fluoro-, 4-fluoro phenol, 4-fluoro-phenol
    Molecular Formula
    C6H5FO
    Molecular Weight
    112.10  g/mol
    InChI Key
    RHMPLDJJXGPMEX-UHFFFAOYSA-N
    FDA UNII
    K6DT6TR5E5
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-fluorophenol
    2.1.2 InChI
    InChI=1S/C6H5FO/c7-5-1-3-6(8)4-2-5/h1-4,8H
    2.1.3 InChI Key
    RHMPLDJJXGPMEX-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1O)F
    2.2 Other Identifiers
    2.2.1 UNII
    K6DT6TR5E5
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. P-fluorophenol

    2.3.2 Depositor-Supplied Synonyms

    1. 371-41-5

    2. P-fluorophenol

    3. Phenol, 4-fluoro-

    4. Phenol, P-fluoro-

    5. 4-fluoro Phenol

    6. 4-fluoro-phenol

    7. Mfcd00002316

    8. K6dt6tr5e5

    9. Nsc-10295

    10. Phenol, 4-fluoro

    11. Para-fluorophenol

    12. Fpn

    13. Ccris 665

    14. Einecs 206-736-0

    15. Nsc 10295

    16. Brn 1362752

    17. 4fluorophenol

    18. P-fluoro Phenol

    19. P-fluoro-phenol

    20. 4-flourophenol

    21. 4fluoro Phenol

    22. 4-flurophenol

    23. 4-fluoranylphenol

    24. 4-fluorophenol, 99%

    25. Fluorophenol, 4-

    26. Unii-k6dt6tr5e5

    27. Ec 206-736-0

    28. Schembl78213

    29. 4-06-00-00773 (beilstein Handbook Reference)

    30. 4-hydroxyphenyl Fluoride

    31. Dtxsid0052047

    32. Chebi:42533

    33. Zinc164463

    34. Nsc10295

    35. Stl183322

    36. Akos000119023

    37. Ccg-302492

    38. Cs-w008731

    39. Ps-9253

    40. Db-028894

    41. Am20040308

    42. F0160

    43. Ft-0618549

    44. A823540

    45. W-200550

    46. Q27460393

    47. F0001-1065

    48. Z1262246108

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 112.10 g/mol
    Molecular Formula C6H5FO
    XLogP31.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass112.032442941 g/mol
    Monoisotopic Mass112.032442941 g/mol
    Topological Polar Surface Area20.2 Ų
    Heavy Atom Count8
    Formal Charge0
    Complexity66.9
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 Metabolism/Metabolites

    4-Fluorophenol has known human metabolites that include (2S,3S,4S,5R)-6-(4-fluorophenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid.

    S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560