Free Chemical Databases



  • [Synonyms]
    NSC143386
    4437-45-0

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight422.558 [g/mol]
    Molecular FormulaC30H30O2
    XLogP7
    H-Bond Donor2
    H-Bond Acceptor2
    Rotatable Bond Count9
    Exact Mass422.22458
    MonoIsotopic Mass422.22458
    Topological Polar Surface Area40.5
    Heavy Atom Count32
    Formal Charge0
    Complexity435
    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: 1,1,6,6-tetra(phenyl)hexane-1,6-diol
    Canonical SMILES: C1=CC=C(C=C1)C(CCCCC(C2=CC=CC=C2)(C3=CC=CC=C3)O)(C4=CC=CC=C4)O
    InChI: InChI=1/C30H30O2/c31-29(25-15-5-1-6-16-25,
    26-17-7-2-8-18-26)23-13-14-24-30(32,
    27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-12,15-22,31-32H,13-14,23-24H2



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