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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

CAS 4335-77-7
cyclohexylphenylglycolic acid is a natural product found in Lespedeza bicolor with data available.
1 2D Structure

CAS 4335-77-7

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

BUILDING BLOCK

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