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    CAS 623-05-2

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 623-05-2, 4-(hydroxymethyl)phenol, P-hydroxybenzyl alcohol, P-methylolphenol, 4-methylolphenol, 4-hydroxybenzenemethanol
    Molecular Formula
    C7H8O2
    Molecular Weight
    124.14  g/mol
    InChI Key
    BVJSUAQZOZWCKN-UHFFFAOYSA-N
    FDA UNII
    1A3AH1FP1B
    gastrodigenin is a natural product found in Populus laurifolia, Mesua, and other organisms with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-(hydroxymethyl)phenol
    2.1.2 InChI
    InChI=1S/C7H8O2/c8-5-6-1-3-7(9)4-2-6/h1-4,8-9H,5H2
    2.1.3 InChI Key
    BVJSUAQZOZWCKN-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1CO)O
    2.2 Other Identifiers
    2.2.1 UNII
    1A3AH1FP1B
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 4-(hydroxymethyl)phenol

    2. 4-methylol Phenol

    3. Gastrodigenin

    4. P-hydroxybenzyl Alcohol

    2.3.2 Depositor-Supplied Synonyms

    1. 623-05-2

    2. 4-(hydroxymethyl)phenol

    3. P-hydroxybenzyl Alcohol

    4. P-methylolphenol

    5. 4-methylolphenol

    6. 4-hydroxybenzenemethanol

    7. Benzenemethanol, 4-hydroxy-

    8. 4-hydroxybenzylalcohol

    9. P-(hydroxymethyl)phenol

    10. Benzyl Alcohol, P-hydroxy-

    11. Gastrodigenin

    12. Alpha-hydroxy-p-cresol

    13. Parahydroxybenzyl Alcohol

    14. .alpha.-hydroxy-p-cresol

    15. Mfcd00004658

    16. Para-hydroxybenzyl Alcohol

    17. 1a3ah1fp1b

    18. Chembl202132

    19. Chebi:67410

    20. Nsc-227926

    21. 4-hydroxymethyl-phenol

    22. Ccris 5114

    23. P-hydroxy Benzyl Alcohol

    24. Einecs 210-768-0

    25. (4-hydroxyphenyl)methanol

    26. Unii-1a3ah1fp1b

    27. Nsc 227926

    28. A-hydroxy-p-cresol

    29. 4-hydroxymethylphenol

    30. P-hydroxybenzyl Alcoho

    31. 4-hydroxymethyl Phenol

    32. 4-hydroxybenzyl-alcohol

    33. 4-(hydroxymethyl)pheno

    34. 4-hydroxy-benzylalcohol

    35. 4-hydroxyphenyl Methanol

    36. P-hydroxy-benzyl Alcohol

    37. 4-hydroxyphenyl Carbinol

    38. 4-hydroxy Benzyl Alcohol

    39. 4-hydroxy-benzyl Alcohol

    40. 4hba

    41. B4-hydroxy-enzenemethanol

    42. 4-hydroxyl-benzyl Alcohol

    43. Bmse000623

    44. Bmse010028

    45. Ec 210-768-0

    46. Schembl62690

    47. 4-hydroxybenzyl Alcohol, 99%

    48. Dtxsid8073920

    49. Fema No. 3987

    50. Hms3885o08

    51. Zinc388762

    52. Act01155

    53. Bcp27109

    54. Benzyl Alcohol, P-hydroxy- (8ci)

    55. Hy-y0892

    56. Str00674

    57. Hydroxybenzyl Alcohol [inci]

    58. Bdbm50177408

    59. Benzenemethanol, 4-hydroxy- (9ci)

    60. Nsc227926

    61. S3857

    62. Stl284640

    63. Akos000121529

    64. 4-hydroxybenzyl Alcohol [fhfi]

    65. 4-hydroxybenzyl Alcohol, >=98%, Fg

    66. Ccg-266090

    67. Cs-w019891

    68. Ps-3494

    69. Ac-24727

    70. Sy003753

    71. 4-(hydroxymethyl)phenol (acd/name 4.0)

    72. Db-003490

    73. 4-hydroxybenzyl Alcohol, Analytical Standard

    74. Am20050567

    75. Ft-0618701

    76. H0224

    77. 23h052

    78. A15709

    79. C17467

    80. C93495

    81. Q-200481

    82. Q5526828

    83. F0001-1668

    84. 4-(hydroxymethyl)phenol;p-hydroxybenzyl Alcohol;p-methylolphenol

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 124.14 g/mol
    Molecular Formula C7H8O2
    XLogP30.2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass124.052429494 g/mol
    Monoisotopic Mass124.052429494 g/mol
    Topological Polar Surface Area40.5 Ų
    Heavy Atom Count9
    Formal Charge0
    Complexity75
    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-Hydroxybenzyl alcohol is a known human metabolite of 4-Methylphenol.

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