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    CAS 3360-41-6
    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
    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
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