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  • [Synonyms]
    6-tert-Butyl-o-cresol
    o-tert-Butyl-o-cresol
    o-Cresol, 6-tert-butyl-
    2-Methyl-6-tert-butylphenol
    2-tert-Butyl-6-methylphenol
    6-tert-Butyl-2-methylphenol
    B97607_ALDRICH
    Phenol, 2-tert-butyl-6-methyl-
    2-tert-Butyl-6-methyl-phenol
    Phenol, 2-(1,1-dimethylethyl)-6-methyl-

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight164.24414 [g/mol]
    Molecular FormulaC11H16O
    XLogP3.4
    H-Bond Donor1
    H-Bond Acceptor1
    Rotatable Bond Count1
    Tautomer Count3
    Exact Mass164.120115
    MonoIsotopic Mass164.120115
    Topological Polar Surface Area20.2
    Heavy Atom Count12
    Formal Charge0
    Complexity146
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: 2-tert-butyl-6-methylphenol
    Canonical SMILES: CC1=C(C(=CC=C1)C(C)(C)C)O
    InChI: InChI=1/C11H16O/c1-8-6-5-7-9(10(8)12)11(2,3)4/h5-7,12H,1-4H3



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