(AlphaR)-alpha-methylbenzenemethanol

Synopsis, Chemistry

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Also known as: 1517-69-7, (r)-(+)-1-phenylethanol, (1r)-1-phenylethanol, (r)-alpha-methylbenzyl alcohol, (r)-(+)-1-phenylethyl alcohol, (1r)-1-phenylethan-1-ol

Molecular Formula

C₈H₁₀O

Molecular Weight

122.16 g/mol

InChI Key

WAPNOHKVXSQRPX-SSDOTTSWSA-N

FDA UNII

36N222W94B

1-phenyl-ethanol is a natural product found in Triticum aestivum with data available.

1 2D Structure

(AlphaR)-alpha-methylbenzenemethanol

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1R)-1-phenylethanol

2.1.2 InChI

InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m1/s1

2.1.3 InChI Key

WAPNOHKVXSQRPX-SSDOTTSWSA-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

36N222W94B

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1517-69-7

2. (r)-(+)-1-phenylethanol

3. (1r)-1-phenylethanol

4. (r)-alpha-methylbenzyl Alcohol

5. (r)-(+)-1-phenylethyl Alcohol

6. (1r)-1-phenylethan-1-ol

7. 1-phenylethanol, (r)-

8. (r)-(+)-sec-phenethyl Alcohol

9. Benzenemethanol, Alpha-methyl-, (r)-

10. (+)-methyl Phenyl Carbinol

11. R-1-phenylethanol

12. (r)-alpha-methylbenzenemethanol

13. (r)-1-phenyl-ethanol

14. Chebi:45616

15. 36n222w94b

16. 1-phenylethanol #

17. Mfcd00064263

18. 1-phenyl Ethyl Alcohol

19. Benzenemethanol, .alpha.-methyl-, (r)-

20. Ss2

21. Dl-sec-phenethyl Alcohol

22. (r)-1-phenylethan-1-ol

23. (r)phenylethanol

24. Unii-36n222w94b

25. (r)-phenylethanol

26. 1-phenethan-1-ol

27. Methylphenyl Methanol

28. (r)1-phenylethanol

29. 1-(r)-phenylethanol

30. (+)-1-phenylethanol

31. 1-phenyl Ethan-1-ol

32. (r)-1-phenyl Ethanol

33. (r)-1-phenethyl Alcohol

34. Alpha-methylbenzene Alcohol

35. (r)-1-phenyl-1-ethanol

36. (r)-1-(phenyl)-ethanol

37. Schembl2165

38. Benzenemethanol, .alpha.-methyl-, (.alpha.r)-

39. Alpha-methyl-benzene Methanol

40. (r)-(-)-1-phenylethanol

41. (r)-1-phenyl Ethyl Alcohol

42. (r)-1-phenylethanol, 97%

43. Chembl151062

44. (r)-(+)-sec-phenethan-1-ol

45. Dtxsid00164853

46. (r)-(+)-a-methylbenzyl Alcohol

47. 1-phenylethanol, (+)-

48. Zinc896626

49. (+)-sec-phenethyl Alcohol

50. Benzenemethanol, .alpha.,-methyl-

51. (+)-.alpha.-phenylethanol

52. (+)-1-phenylethyl Alcohol

53. Cs-m2101

54. (alphar)-alpha-methylbenzenemethanol

55. (r)-(+)-alpha-methylbenzyl Alcohol

56. Benzenemethanol, Alpha-methyl,(r)-,

57. Akos010400603

58. Am84475

59. Db04784

60. (+)-.alpha.-phenethyl Alcohol

61. (+)-.alpha.-methylbenzyl Alcohol

62. Ds-17629

63. P0795

64. En300-87751

65. (r)-13

66. F13058

67. 517p697

68. A809217

69. J-008843

70. J-501749

71. Q27095522

72. (r)-(+)-1-phenylethanol, >=98.5% (sum Of Enantiomers, Gc)

73. (r)-(+)-1-phenylethanol, For Chiral Derivatization, >=99.0%

74. (r)-(+)-1-phenylethanol, Chipros(r), Produced By Basf, 98%

2.4 Create Date

2005-07-19

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