(AlphaS)-alpha-methylbenzenemethanol

Synopsis, Chemistry

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Also known as: 1445-91-6, (s)-(-)-1-phenylethanol, (1s)-1-phenylethanol, (1s)-1-phenylethan-1-ol, 1-phenylethanol, (s)-, (-)-methyl phenyl carbinol

Molecular Formula

C₈H₁₀O

Molecular Weight

122.16 g/mol

InChI Key

WAPNOHKVXSQRPX-ZETCQYMHSA-N

FDA UNII

2MIC4QLY2X

(S)-1-phenylethanol is a natural product found in Alpinia oxyphylla, Cyperus conglomeratus, and Triticum aestivum with data available.

1 2D Structure

(AlphaS)-alpha-methylbenzenemethanol

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1S)-1-phenylethanol

2.1.2 InChI

InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m0/s1

2.1.3 InChI Key

WAPNOHKVXSQRPX-ZETCQYMHSA-N

2.1.4 Canonical SMILES

CC(C1=CC=CC=C1)O

2.1.5 Isomeric SMILES

C[C@@H](C1=CC=CC=C1)O

2.2 Other Identifiers

2.2.1 UNII

2MIC4QLY2X

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1445-91-6

2. (s)-(-)-1-phenylethanol

3. (1s)-1-phenylethanol

4. (1s)-1-phenylethan-1-ol

5. 1-phenylethanol, (s)-

6. (-)-methyl Phenyl Carbinol

7. (s)-1-phenyl-ethanol

8. (s)-(-)-phenylethanol

9. (s)-1-phenyl-1-ethanol

10. (s)-1-phenylethan-1-ol

11. Benzenemethanol, .alpha.-methyl-, (.alpha.s)-

12. (s)-(-)-1-phenylethyl Alcohol

13. S-1-phenylethanol

14. 2mic4qly2x

15. (s)-1-phenethyl Alcohol

16. (s)-1-phenylethyl Alcohol

17. (s)-alpha-methylbenzenemethanol

18. Chebi:16346

19. (s)-(-)-alpha-methylbenzyl Alcohol

20. [s]-1-phenylethanol

21. 1-phenylethanol #

22. Benzenemethanol, .alpha.-methyl-, (s)-

23. Unii-2mic4qly2x

24. (1s)-1-phenyl-ethanol

25. (s)-(-)-sec-phenethyl Alcohol

26. (s)-phenylethanol

27. (s)-(-)-sec-phenylethyl Alcohol

28. Benzenemethanol, Alpha-methyl-, (s)-

29. (-)-1-phenylethanol

30. (-)-sec-phenethyl Alcohol

31. Schembl7144

32. 1-phenyl-(1s)-ethan-1-ol

33. Chembl348446

34. (s)-phenylmethylcarbinol

35. Dtxsid4073259

36. 1-phenylethanol, (-)-

37. Zinc896625

38. (-)-.alpha.-phenylethanol

39. (-)-1-phenyl-1-ethanol

40. (-)-1-phenylethyl Alcohol

41. (-)-(s)-1-phenylethanol

42. (alphas)-alpha-methylbenzenemethanol

43. Benzenemethanol, A-methyl-, (as)-

44. Hy-78093a

45. Mfcd00064264

46. S3365

47. (s)-(-)-1-phenylethanol, 97%

48. Akos016842975

49. Am84405

50. (-)-.alpha.-phenethyl Alcohol

51. (-)-.alpha.-methylbenzyl Alcohol

52. As-13396

53. Bp-10717

54. Ss1

55. Benzenemethanol, Alpha-methyl-, (alphas)-

56. Db-009378

57. Cs-0007824

58. P0796

59. En300-87752

60. F13077

61. (1s)-1-phenylethanol;(s)-(-)-1-phenylethanol

62. 445p916

63. A808240

64. (s)-(-)-1-phenylethanol, For Chiral Derivatization

65. J-007970

66. J-501784

67. Q26841260

68. (s)-(-)-1-phenylethanol, >=98.5% (sum Of Enantiomers, Gc)

69. (s)-(-)-1-phenylethanol, For Chiral Derivatization, >=99.0%

70. (s)-(-)-1-phenylethanol, Chipros(r), Produced By Basf, 98%

2.4 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₀O
Molecular Weight	122.16 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	122.073164938 g/mol
Monoisotopic Mass	122.073164938 g/mol
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	74.6
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1