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Also known as: 4-phenylbutan-1-ol, 3360-41-6, Benzenebutanol, 4-phenylbutanol, Phenylbutyl alcohol, 4-phenylbutyl alcohol
Molecular Formula
C10H14O
Molecular Weight
150.22  g/mol
InChI Key
LDZLXQFDGRCELX-UHFFFAOYSA-N
FDA UNII
Q5ORZ1321G

CAS 3360-41-6
4-phenylbutanol is a natural product found in Lavandula stoechas with data available.
1 2D Structure

CAS 3360-41-6

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-phenylbutan-1-ol
2.1.2 InChI
InChI=1S/C10H14O/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2
2.1.3 InChI Key
LDZLXQFDGRCELX-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C(C=C1)CCCCO
2.2 Other Identifiers
2.2.1 UNII
Q5ORZ1321G
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 4-phenyl-2-butanol

2. 4-phenylbutanol

2.3.2 Depositor-Supplied Synonyms

1. 4-phenylbutan-1-ol

2. 3360-41-6

3. Benzenebutanol

4. 4-phenylbutanol

5. Phenylbutyl Alcohol

6. 4-phenylbutyl Alcohol

7. 1-butanol, 4-phenyl-

8. 4-phenyl Butanol-1

9. 4-phenyl-butan-1-ol

10. 4-phenyl-n-butanol

11. Mfcd00002971

12. Q5orz1321g

13. 1-butanol, 4-phenyl- (8ci)

14. Nsc-71383

15. 4-phenyl Butanol

16. Phenbutanol

17. Unii-q5orz1321g

18. Einecs 222-128-8

19. Nsc 71383

20. 1-phenyl-4-butanol

21. 1-butanol, Phenyl-

22. 4-phenyl Butan-1-ol

23. Ai3-11560

24. Schembl2205

25. Nciopen2_000492

26. 4-phenyl-1-butanol, 99%

27. Dtxsid3062994

28. Ldzlxqfdgrcelx-uhfffaoysa-

29. 4-phenyl-1-butyl Alcohol

30. Act04259

31. Bcp16469

32. Nsc71383

33. Zinc1696779

34. Bbl104162

35. Stl557976

36. Akos005254925

37. Cs-w018137

38. Ac-23988

39. As-17613

40. Sy015871

41. Db-023073

42. Am20040203

43. Ft-0619385

44. P1275

45. A25192

46. W-106770

47. Q27287033

48. 55053-52-6

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 150.22 g/mol
Molecular Formula C10H14O
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass150.104465066 g/mol
Monoisotopic Mass150.104465066 g/mol
Topological Polar Surface Area20.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity84.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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