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    Technical details about MolPort-001-791-453, learn more about the structure, uses, toxicity, action, side effects and more

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    MolPort-001-791-453

    DOSSIERs // Finished Dosage Forms

    PharmaCompass

    Minakem offers CDMO services for API & HPAPI, generics, regulatory expertise, track record performance & FDA & GMP certifications.

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    2D Structure
    Also known as: 3228-02-2, 3-methyl-4-isopropylphenol, 4-isopropyl-m-cresol, O-cymen-5-ol, Biosol, 3-methyl-4-propan-2-ylphenol
    Molecular Formula
    C10H14O
    Molecular Weight
    150.22  g/mol
    InChI Key
    IJALWSVNUBBQRA-UHFFFAOYSA-N
    FDA UNII
    H41B6Q1I9L
    o-cymen-5-ol is a natural product found in Salvia rosmarinus with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-methyl-4-propan-2-ylphenol
    2.1.2 InChI
    InChI=1S/C10H14O/c1-7(2)10-5-4-9(11)6-8(10)3/h4-7,11H,1-3H3
    2.1.3 InChI Key
    IJALWSVNUBBQRA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C=CC(=C1)O)C(C)C
    2.2 Other Identifiers
    2.2.1 UNII
    H41B6Q1I9L
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. O-cymen-5-ol

    2.3.2 Depositor-Supplied Synonyms

    1. 3228-02-2

    2. 3-methyl-4-isopropylphenol

    3. 4-isopropyl-m-cresol

    4. O-cymen-5-ol

    5. Biosol

    6. 3-methyl-4-propan-2-ylphenol

    7. P-thymol

    8. Phenol, 3-methyl-4-(1-methylethyl)-

    9. O-cymen-5y-ol

    10. 4-isopropyl-5-methylphenol

    11. 4-isopropyl-3-methyl-phenol

    12. 1-hydroxy-3-methyl-4-isopropylbenzene

    13. 3-methyl-4-(propan-2-yl)phenol

    14. 3-methyl-4-(1-methylethyl)phenol

    15. Mfcd00010704

    16. H41b6q1i9l

    17. Nsc-62111

    18. Frecide

    19. Biosal (antibacterial)

    20. Isopropylmethylphenol

    21. Einecs 221-761-7

    22. Nsc 62111

    23. Dekacymen

    24. Brn 1364028

    25. Unii-h41b6q1i9l

    26. 2-cymen-5-ol

    27. 4-iso-propyl-3-methylphenol

    28. Cymen-5-ol, O-

    29. Bidd:er0450

    30. Schembl133674

    31. O-cymen-5-ol [inci]

    32. Chebi:34429

    33. Ijalwsvnubbqra-uhfffaoysa-

    34. Dtxsid10186026

    35. O-cymen-5y-ol [who-dd]

    36. 3-methyl-4-isopropylphenol, 99%

    37. 4-i-propyl-3-methylphenol

    38. 4-isopropyl-3-methylphenol, 99%

    39. Amy18255

    40. Nsc62111

    41. Zinc1691011

    42. Akos000119826

    43. Ac-9076

    44. Ds-6343

    45. Bp-12478

    46. Sy051849

    47. 3-methyl-4-(propan-2-yl)benzolol

    48. Db-048192

    49. Cs-0072744

    50. Ft-0618824

    51. M0409

    52. F17347

    53. 4-06-00-03325 (beilstein Handbook Reference)

    54. A821219

    55. W-106848

    56. Q27116059

    57. F0001-0962

    58. Z1262246127

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 150.22 g/mol
    Molecular Formula C10H14O
    XLogP33
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count1
    Exact Mass150.104465066 g/mol
    Monoisotopic Mass150.104465066 g/mol
    Topological Polar Surface Area20.2 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity120
    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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