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Fenipentol

Fenipentol

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Also known as: 1-phenylpentan-1-ol, 1-phenyl-1-pentanol, 583-03-9, Pancoral, 1-phenylpentanol, Alpha-butylbenzyl alcohol

Molecular Formula

C₁₁H₁₆O

Molecular Weight

164.24 g/mol

InChI Key

OVGORFFCBUIFIA-UHFFFAOYSA-N

FDA UNII

X3FZE77O60

-butylbenzyl alcohol is a natural product found in Vincetoxicum glaucescens with data available.

1 2D Structure

Fenipentol

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-phenylpentan-1-ol

2.1.2 InChI

InChI=1S/C11H16O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8,11-12H,2-3,9H2,1H3

2.1.3 InChI Key

OVGORFFCBUIFIA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCC(C1=CC=CC=C1)O

2.2 Other Identifiers

2.2.1 UNII

X3FZE77O60

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1-phenyl-1-hydroxy-n-pentane

2. 1-phenyl-1-hydroxypentane

3. 1-phnp

4. Febichol

5. Fenipentol, (r)-isomer

6. Fenipentol, (s)-isomer

2.3.2 Depositor-Supplied Synonyms

1. 1-phenylpentan-1-ol

2. 1-phenyl-1-pentanol

3. 583-03-9

4. Pancoral

5. 1-phenylpentanol

6. Alpha-butylbenzyl Alcohol

7. Phenylbutylcarbinol

8. Suiclisin

9. 1-pentanol, 1-phenyl-

10. 1-phenyl-1-hydroxypentane

11. Ph Bc

12. Benzenemethanol, .alpha.-butyl-

13. 1-hydroxy-1-phenylpentane

14. Pc 1

15. Nsc 8478

16. .alpha.-butylbenzyl Alcohol

17. 1-phenyl-1-hydroxy-n-pentane

18. Benzyl Alcohol, .alpha.-butyl-

19. Ph-bc

20. Nsc-8478

21. .alpha.-butylbenzenemethanol

22. X3fze77o60

23. Fenipentolum

24. Fenipentol [inn:jan]

25. Alpha-butylbenzenemethanol

26. Fenipentolum [inn-latin]

27. Einecs 209-493-9

28. Brn 1908761

29. Unii-x3fze77o60

30. Benzenemethanol, Alpha-butyl-

31. Ai3-36514

32. Benzyl Alcohol, Alpha-butyl-

33. Ncgc00181036-01

34. A-butylbenzylalcohol

35. N-butyl Phenyl Carbinol

36. 1-phenyl-pentan-1-ol

37. Fenipentol [mi]

38. Fenipentol (jan/inn)

39. Fenipentol [inn]

40. Fenipentol [jan]

41. Fenipentol [mart.]

42. Dsstox_cid_26818

43. Dsstox_rid_81930

44. Fenipentol [who-dd]

45. Dsstox_gsid_46818

46. Schembl21837

47. 4-06-00-03371 (beilstein Handbook Reference)

48. Chembl2104321

49. Dtxsid4046818

50. Chebi:31600

51. Nsc8478

52. Hms3713l06

53. Hy-b1273

54. Tox21_112684

55. Mfcd00021935

56. S5702

57. Akos009158098

58. (+/-)-1-phenyl-1-pentanol

59. Ccg-213901

60. Ncgc00344546-01

61. As-76425

62. Cas-583-03-9

63. (+/-)-.alpha.-butylbenzyl Alcohol

64. Cs-0013053

65. Ft-0626398

66. P1086

67. D01751

68. D92069

69. Ab01563209_01

70. A831823

71. Q426345

72. Sr-01000944264

73. Sr-01000944264-1

74. Brd-a66284731-001-01-2

2.4 Create Date

2005-03-25

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₆O
Molecular Weight	164.24 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	164.120115130 g/mol
Monoisotopic Mass	164.120115130 g/mol
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	106
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Cholagogues and Choleretics

Gastrointestinal agents that stimulate the flow of bile into the duodenum (cholagogues) or stimulate the production of bile by the liver (choleretic). (See all compounds classified as Cholagogues and Choleretics.)