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    CAS-118-93-4

    BUILDING BLOCK

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    2D Structure
    Also known as: 118-93-4, 1-(2-hydroxyphenyl)ethanone, 2-acetylphenol, O-hydroxyacetophenone, O-acetylphenol, O-hydroxyphenyl methyl ketone
    Molecular Formula
    C8H8O2
    Molecular Weight
    136.15  g/mol
    InChI Key
    JECYUBVRTQDVAT-UHFFFAOYSA-N
    FDA UNII
    3E533Z76W0
    o-acetylphenol is a natural product found in Castanopsis cuspidata, Paeonia lactiflora, and other organisms with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(2-hydroxyphenyl)ethanone
    2.1.2 InChI
    InChI=1S/C8H8O2/c1-6(9)7-4-2-3-5-8(7)10/h2-5,10H,1H3
    2.1.3 InChI Key
    JECYUBVRTQDVAT-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(=O)C1=CC=CC=C1O
    2.2 Other Identifiers
    2.2.1 UNII
    3E533Z76W0
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1-(2-hydroxyphenyl)ethanone

    2. 1-(2-hydroxyphenyl)ethanone, Sodium Salt

    3. O-hydroxyacetophenone

    2.3.2 Depositor-Supplied Synonyms

    1. 118-93-4

    2. 1-(2-hydroxyphenyl)ethanone

    3. 2-acetylphenol

    4. O-hydroxyacetophenone

    5. O-acetylphenol

    6. O-hydroxyphenyl Methyl Ketone

    7. 1-(2-hydroxyphenyl)ethan-1-one

    8. 2-hydroxyphenyl Methyl Ketone

    9. Acetophenone, 2'-hydroxy-

    10. Ethanone, 1-(2-hydroxyphenyl)-

    11. Methyl 2-hydroxyphenyl Ketone

    12. Acetophenone, O-hydroxy-

    13. Usaf Ke-20

    14. 104809-67-8

    15. 2/'-hydroxyacetophenone

    16. Fema No. 3548

    17. Nsc 16933

    18. Ethanone, 1-(hydroxyphenyl)-

    19. 2-hydroxyacetylbenzene

    20. Paracetamol Impurity I

    21. Ortho-hydroxyacetophenone

    22. 125507-95-1

    23. 1-(2-hydroxyphenyl)-ethanone

    24. Chembl3187012

    25. 2-acetophenol

    26. Mfcd00002219

    27. Nsc-16933

    28. 3e533z76w0

    29. 2,4-cyclohexadien-1-one, 6-(1-hydroxyethylidene)- (9ci)

    30. Wln: Qr Bv1

    31. 2-hydroxyacetophenone-d7

    32. Einecs 204-288-0

    33. Brn 0386123

    34. O-acetyl Phenol

    35. Ai3-12134

    36. Unii-3e533z76w0

    37. Fema 3548

    38. Orthohydroxyacetophenone

    39. 2`-hydroxyacetophenone

    40. 2'-hydroxy-acetophenone

    41. 2\'-hydroxyacetophenone

    42. 1-(hydroxyphenyl)ethanone

    43. 1-(2-hydroxyphenyl)etanone

    44. Dsstox_cid_20285

    45. Dsstox_rid_79470

    46. Dsstox_gsid_40285

    47. Schembl40865

    48. 4-08-00-00320 (beilstein Handbook Reference)

    49. Acetophenone,2-hydroxy

    50. 1-(2-hydroxy-phenyl)ethanone

    51. 1-(2-hydroxy Phenyl)-ethanone

    52. 1-(2-hydroxy-phenyl)-ethanone

    53. Dtxsid7040285

    54. Nsc9263

    55. 2'-hydroxyacetophenone, >=98%

    56. Chebi:145716

    57. 1-(2-hydroxyphenyl)ethanone, 9ci

    58. Acetophenone, 2'-hydroxy- (8ci)

    59. Act05307

    60. Hy-y1426

    61. Nsc-9263

    62. Nsc16933

    63. Nsc44452

    64. Str00372

    65. Zinc1699884

    66. Tox21_301119

    67. 2-hydroxyacetophenone [fhfi]

    68. Bbl012126

    69. Bdbm50140214

    70. Nsc-44452

    71. S9375

    72. Stl163508

    73. 2`-hydroxyacetophenone 2-acetylphenol

    74. Akos000118832

    75. Ac-5622

    76. Ccg-266129

    77. Cs-w020051

    78. Ps-3396

    79. Ncgc00248294-01

    80. Ncgc00257527-01

    81. Bp-13220

    82. Cas-118-93-4

    83. 2'-hydroxyacetophenone, Analytical Standard

    84. Am20060222

    85. Ft-0612573

    86. Ft-0652315

    87. Ft-0669287

    88. H0192

    89. Paracetamol Impurity I [ep Impurity]

    90. 2'-hydroxyacetophenone, Reagentplus(r), 99%

    91. D70588

    92. 2'-hydroxyacetophenone (acetaminophen Impurity I)

    93. A801063

    94. A804129

    95. W-108529

    96. Q27257104

    97. Z57101014

    98. 2'-hydroxyacetophenone, Vetec(tm) Reagent Grade, 98%

    99. F1908-0162

    100. 1-(6-hydroxycyclohexa-2,4-dien-1-yl)ethanone;2'-hydroxyacetophenone

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 136.15 g/mol
    Molecular Formula C8H8O2
    XLogP31.9
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area37.3
    Heavy Atom Count10
    Formal Charge0
    Complexity131
    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

    2'-Hydroxyacetophenone is a known human metabolite of 2'-methoxyacetophenone.

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