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    1-acetyl-2-methylbenzene

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 577-16-2, 2-methylacetophenone, 1-(o-tolyl)ethanone, 2-acetyltoluene, 1-(2-methylphenyl)ethanone, O-methylacetophenone
    Molecular Formula
    C9H10O
    Molecular Weight
    134.17  g/mol
    InChI Key
    YXWWHNCQZBVZPV-UHFFFAOYSA-N
    FDA UNII
    23O5EV975S
    ethanone, 1-(2-methylphenyl)- is a natural product found in Averrhoa carambola, Gossypium hirsutum, and Homo sapiens with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(2-methylphenyl)ethanone
    2.1.2 InChI
    InChI=1S/C9H10O/c1-7-5-3-4-6-9(7)8(2)10/h3-6H,1-2H3
    2.1.3 InChI Key
    YXWWHNCQZBVZPV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC=CC=C1C(=O)C
    2.2 Other Identifiers
    2.2.1 UNII
    23O5EV975S
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 577-16-2

    2. 2-methylacetophenone

    3. 1-(o-tolyl)ethanone

    4. 2-acetyltoluene

    5. 1-(2-methylphenyl)ethanone

    6. O-methylacetophenone

    7. O-acetyltoluene

    8. 2'-methylacetylphenone

    9. Ethanone, 1-(2-methylphenyl)-

    10. Methyl O-tolyl Ketone

    11. Acetophenone, 2'-methyl-

    12. 1-(methylphenyl)ethan-1-one

    13. 1-(2-methylphenyl)ethan-1-one

    14. 1-o-tolylethanone

    15. Methyl 2-methylphenyl Ketone

    16. 1-o-tolyl-ethanone

    17. O-methyl Acetophenone

    18. 26444-19-9

    19. Ortho-methylacetophenone

    20. 2'-methyl-acetophenone

    21. 1-(2-tolyl)ethanone

    22. Nsc 84233

    23. 23o5ev975s

    24. Mfcd00008734

    25. Nsc-84233

    26. Unii-23o5ev975s

    27. Methyl Tolyl Ketone

    28. Nsc84233

    29. Einecs 209-408-5

    30. Einecs 247-691-7

    31. 1-(o-tolyl)-ethanone

    32. 2\'-methylacetophenone

    33. Ortho-methyl Acetophenone

    34. Ortho-methylphenylethanone

    35. 1-(methylphenyl)-ethanone

    36. 1-(o-tolyl)ethan-1-one

    37. 2?-methylacetophenone

    38. 1-(2-methylphenyl)-ethanone

    39. 2'-methylacetophenone, 98%

    40. Schembl112406

    41. 1-(2-methyl-phenyl)-ethanone

    42. Ortho Methyl Acetophenone

    43. Fema No. 4316

    44. 2'-methylacetophenone, >=98%

    45. Chebi:145958

    46. Dtxsid501015360

    47. Acetophenone, 2'-methyl- (8ci)

    48. 2-methylacetophenone [fhfi]

    49. Act07828

    50. Str03226

    51. Zinc1736725

    52. 2-methylphenyl Methyl Ketone

    53. Ac7820

    54. Stl146529

    55. Akos000120656

    56. Cs-w013374

    57. Hy-w012658

    58. Ethanone, 1-(2-methylphenyl)- (9ci)

    59. Ac-15885

    60. Sy002283

    61. Db-014153

    62. Am20040758

    63. Ft-0613001

    64. M0172

    65. 2 Inverted Exclamation Mark -methylacetophenone

    66. W-105445

    67. 2'-methylacetophenone, Vetec(tm) Reagent Grade, 98%

    68. Q27253770

    69. F0001-1503

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 134.17 g/mol
    Molecular Formula C9H10O
    XLogP32
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count1
    Exact Mass134.073164938 g/mol
    Monoisotopic Mass134.073164938 g/mol
    Topological Polar Surface Area17.1 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity129
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1