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    CAS 4335-77-7

    BUILDING BLOCK

    PharmaCompass
    Xls

    Filters

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    2D Structure
    Also known as: 4335-77-7, Alpha-cyclohexylmandelic acid, Cyclohexylphenylglycolic acid, Cyclohexyl-hydroxy-phenyl-acetic acid, Hexahydrobenzilic acid, Cyclohexylmandelic acid
    Molecular Formula
    C14H18O3
    Molecular Weight
    234.29  g/mol
    InChI Key
    YTRNSQPXEDGWMR-UHFFFAOYSA-N
    FDA UNII
    QH762W903U
    cyclohexylphenylglycolic acid is a natural product found in Lespedeza bicolor with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-cyclohexyl-2-hydroxy-2-phenylacetic acid
    2.1.2 InChI
    InChI=1S/C14H18O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12,17H,2,5-6,9-10H2,(H,15,16)
    2.1.3 InChI Key
    YTRNSQPXEDGWMR-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CCC(CC1)C(C2=CC=CC=C2)(C(=O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    QH762W903U
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 4335-77-7

    2. Alpha-cyclohexylmandelic Acid

    3. Cyclohexylphenylglycolic Acid

    4. Cyclohexyl-hydroxy-phenyl-acetic Acid

    5. Hexahydrobenzilic Acid

    6. Cyclohexylmandelic Acid

    7. 2-cyclohexyl-2-hydroxy-phenylacetic Acid

    8. 50896-04-3

    9. A-cyclohexylmandelic Acid

    10. Alpha-cyclohexyl-dl-mandelic Acid

    11. Phenylcyclohexylglycolic Acid

    12. Cyclohexyl(hydroxy)phenylacetic Acid

    13. Oxybutynin Related Compound A

    14. 2-cyclohexyl-2-hydroxy-2-phenyl-acetic Acid

    15. Qh762w903u

    16. 2-cyclohexyl-2-phenylglycolic Acid

    17. Mfcd00194543

    18. Nsc-28945

    19. Nsc-93969

    20. Cyclohexyl Mandelic Acid

    21. Alpha Cyclohexylmandelic Acid

    22. (rs)-2-cyclohexyl-2-hydroxy-2-phenylacetic Acid (phenylcyclohexylglycolic Acid)

    23. A-cyclohexyl-a-hydroxyphenyl Acetic Acid

    24. Phenyl-cyclohexylglycolic Acid

    25. Rcc 32

    26. (+-)-cyclohexylphenylglycolic Acid

    27. Alpha-phenylcyclohexaneglycolic Acid

    28. Einecs 224-380-4

    29. Kl-007-m1

    30. Nsc 28945

    31. Nsc 93969

    32. Unii-qh762w903u

    33. Acide Phenylcyclohexylhydroxyacetique [french]

    34. Alpha-cyclohexyl-alpha-hydroxybenzeneacetic Acid

    35. Acide Phenylcyclohexylhydroxyacetique

    36. Benzeneacetic Acid, Alpha-cyclohexyl-alpha-hydroxy-

    37. Cpga

    38. Cyclohexaneglycolic Acid, Alpha-phenyl-

    39. Benzeneacetic Acid, A-cyclohexyl-a-hydroxy-

    40. Chemdiv2_000672

    41. Oprea1_543150

    42. Cyclohexylphenyl Glycolic Acid

    43. Mls001211653

    44. Schembl198082

    45. Rcc-32

    46. Chembl1333063

    47. Dtxsid50863369

    48. Alpha-cyclohexylphenylglycolic Acid

    49. Chebi:165187

    50. Hms1370o12

    51. Hms2833f08

    52. Alpha-cyclohexylmandelic Acid, 97%

    53. Bcp22302

    54. Cyclohexyl-hydroxy-phenylacetic Acid

    55. Nsc28945

    56. Nsc93969

    57. Stk364404

    58. Akos000300197

    59. Akos016842341

    60. Ccg-106579

    61. Ds-1292

    62. Cyclohexyl (hydroxy) Phenyl Acetic Acid

    63. Ncgc00245367-01

    64. Ac-16189

    65. Smr000518539

    66. Sy011590

    67. 2-cyclohexyl-2-hydroxy-2-phenylaceticacid

    68. Benzeneacetic Acid,a-cyclohexyl-a-hydroxy-

    69. .alpha.-cyclohexyl-dl-mandelic Acid

    70. Db-016883

    71. Db-115644

    72. .alpha.-phenylcyclohexylglycolic Acid

    73. 2-cyclohexyl-2-hydroxy-2-phenyl Acetic Acid

    74. Am20040469

    75. Cs-0156519

    76. Ft-0635236

    77. Ft-0665345

    78. Ft-0665346

    79. Oxybutynin Related Compound A [usp-rs]

    80. Ae-641/03292035

    81. Oxybutynin Related Compound A [usp Impurity]

    82. W-106234

    83. (as)-alpha-hydroxy-alpha-cyclohexylbenzeneacetic Acid

    84. .alpha.-cyclohexyl-.alpha.-phenylglycolic Acid

    85. Brd-a49752073-001-07-3

    86. Q27287264

    87. Oxybutynin Hydrochloride Impurity D [ep Impurity]

    88. Benzeneacetic Acid, .alpha.-cyclohexyl-.alpha.-hydroxy-

    89. Oxybutynin Related Compound A, United States Pharmacopeia (usp) Reference Standard

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 234.29 g/mol
    Molecular Formula C14H18O3
    XLogP33
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass234.125594432 g/mol
    Monoisotopic Mass234.125594432 g/mol
    Topological Polar Surface Area57.5 Ų
    Heavy Atom Count17
    Formal Charge0
    Complexity265
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1