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    Technical details about CAS-500-66-3, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS-500-66-3

    BUILDING BLOCK

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    2D Structure
    Also known as: 500-66-3, 5-pentylbenzene-1,3-diol, 5-pentylresorcinol, 5-n-amylresorcinol, 5-pentyl-1,3-benzenediol, 3,5-dihydroxyamylbenzene
    Molecular Formula
    C11H16O2
    Molecular Weight
    180.24  g/mol
    InChI Key
    IRMPFYJSHJGOPE-UHFFFAOYSA-N
    FDA UNII
    65OP0NEZ1P
    olivetol is a natural product found in Ardisia virens, Primula obconica, and Cannabis sativa with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-pentylbenzene-1,3-diol
    2.1.2 InChI
    InChI=1S/C11H16O2/c1-2-3-4-5-9-6-10(12)8-11(13)7-9/h6-8,12-13H,2-5H2,1H3
    2.1.3 InChI Key
    IRMPFYJSHJGOPE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCCCC1=CC(=CC(=C1)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    65OP0NEZ1P
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 5-pentyl-1,3-dihydroxybenzene

    2.3.2 Depositor-Supplied Synonyms

    1. 500-66-3

    2. 5-pentylbenzene-1,3-diol

    3. 5-pentylresorcinol

    4. 5-n-amylresorcinol

    5. 5-pentyl-1,3-benzenediol

    6. 3,5-dihydroxyamylbenzene

    7. 1,3-benzenediol, 5-pentyl-

    8. 5-n-pentylresorcinol

    9. Resorcinol, 5-pentyl-

    10. Ccris 6084

    11. 1,3-dihydroxy-5-pentylbenzene

    12. While Olivetol

    13. 5-(1-pentyl)resorcinol

    14. Chebi:66960

    15. Mfcd00002293

    16. 65op0nez1p

    17. Dsstox_cid_5812

    18. Dsstox_rid_77932

    19. Dsstox_gsid_25812

    20. Cas-500-66-3

    21. Einecs 207-908-8

    22. Unii-65op0nez1p

    23. Brn 0908277

    24. Olivetol (6ci)

    25. Olivetol, 95%

    26. 5-n-pentyl Resorcinol

    27. 5-pentyl-benzene-1,3-diol

    28. Schembl69517

    29. 3-06-00-04695 (beilstein Handbook Reference)

    30. 5-pentyl-1,3-benzenediol #

    31. Chembl154533

    32. Dtxsid0025812

    33. Resorcinol, 5-pentyl- (8ci)

    34. 3 Pound Not5-hydroxypentylbenzene

    35. Amy15297

    36. Bcp05148

    37. Zinc2040431

    38. Tox21_202349

    39. Tox21_303332

    40. Bdbm50555907

    41. Fd7124

    42. Lmpk15030008

    43. S5119

    44. Akos015843209

    45. 1,3-benzenediol, 5-pentyl- (9ci)

    46. Ccg-266434

    47. Cs-w008364

    48. Gs-0903

    49. Hy-w008364

    50. Smp1_000226

    51. Ncgc00091140-01

    52. Ncgc00091140-02

    53. Ncgc00257098-01

    54. Ncgc00259898-01

    55. Ac-26318

    56. Sy104495

    57. Db-007795

    58. Ft-0600424

    59. Ft-0673271

    60. 5-n-pentylresorcinol;5-pentyl-1,3-benzenediol

    61. 500o663

    62. A827958

    63. J-640255

    64. J-800254

    65. Q3881822

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 180.24 g/mol
    Molecular Formula C11H16O2
    XLogP33.6
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count4
    Exact Mass180.115029749 g/mol
    Monoisotopic Mass180.115029749 g/mol
    Topological Polar Surface Area40.5 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity126
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1