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    Biclotymol

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 15686-33-6, 6,6'-methylenebis(4-chloro-2-isopropyl-5-methylphenol), Biclotymol [inn:dcf], 6,6'-dichlor-2,2'-methylendithymol, Hexaspray, 4-chloro-2-[(5-chloro-2-hydroxy-6-methyl-3-propan-2-ylphenyl)methyl]-3-methyl-6-propan-2-ylphenol
    Molecular Formula
    C21H26Cl2O2
    Molecular Weight
    381.3  g/mol
    InChI Key
    HNOOXWDWUSLXOB-UHFFFAOYSA-N
    FDA UNII
    W4K0AE8XW9
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-chloro-2-[(5-chloro-2-hydroxy-6-methyl-3-propan-2-ylphenyl)methyl]-3-methyl-6-propan-2-ylphenol
    2.1.2 InChI
    InChI=1S/C21H26Cl2O2/c1-10(2)14-8-18(22)12(5)16(20(14)24)7-17-13(6)19(23)9-15(11(3)4)21(17)25/h8-11,24-25H,7H2,1-6H3
    2.1.3 InChI Key
    HNOOXWDWUSLXOB-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C=C(C(=C1CC2=C(C(=CC(=C2C)Cl)C(C)C)O)O)C(C)C)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    W4K0AE8XW9
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2,2-methylenebis(4-chloro-3-methyl-isopropylphenol)

    2.3.2 Depositor-Supplied Synonyms

    1. 15686-33-6

    2. 6,6'-methylenebis(4-chloro-2-isopropyl-5-methylphenol)

    3. Biclotymol [inn:dcf]

    4. 6,6'-dichlor-2,2'-methylendithymol

    5. Hexaspray

    6. 4-chloro-2-[(5-chloro-2-hydroxy-6-methyl-3-propan-2-ylphenyl)methyl]-3-methyl-6-propan-2-ylphenol

    7. 2,2'-methylenebis(6-chlorothymole)

    8. W4k0ae8xw9

    9. Biclotymol (inn)

    10. Biclotymolum

    11. Biclotymol [inn]

    12. Hexaspray (tn)

    13. Biclotymolum [inn-latin]

    14. Unii-w4k0ae8xw9

    15. Einecs 239-771-5

    16. Thymol, 2,2'-methylenebis[6-chloro-

    17. Phenol, 2,2'-methylenebis[4-chloro-3-methyl-6-(1-methylethyl)-

    18. Biclotymol [mart.]

    19. Biclotymol [who-dd]

    20. Schembl70634

    21. Chembl2107655

    22. Dtxsid90166144

    23. Chebi:177790

    24. Zinc4215009

    25. Mfcd00865128

    26. Ds-13173

    27. Cs-0059759

    28. D07527

    29. W17157

    30. 686b336

    31. Q2901642

    32. 2,2-methylenebis(4-chloro-3-methyl-isopropylphenol)

    33. 4-chloro-2-[(5-chloro-2-hydroxy-3-isopropyl-6-methyl-phenyl)methyl]-6-isopropyl-3-methyl-phenol

    2.4 Create Date
    2005-08-01
    3 Chemical and Physical Properties
    Molecular Weight 381.3 g/mol
    Molecular Formula C21H26Cl2O2
    XLogP37.4
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count4
    Exact Mass380.1309855 g/mol
    Monoisotopic Mass380.1309855 g/mol
    Topological Polar Surface Area40.5 Ų
    Heavy Atom Count25
    Formal Charge0
    Complexity390
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1