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    BUILDING BLOCK

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    Chemistry

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    Also known as: 68684-63-9, Cid 63063, 4-[1,2-diphenylbut-1-enyl]phenol, Lczc1435, Schembl5354177, Dtxsid701294588
    Molecular Formula
    C22H20O
    Molecular Weight
    300.4  g/mol
    InChI Key
    YJVFSITVRZYTHO-UHFFFAOYSA-N
    CAS 68684-63-9
    1 2D Structure

    CAS 68684-63-9

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-(1,2-diphenylbut-1-enyl)phenol
    2.1.2 InChI
    InChI=1S/C22H20O/c1-2-21(17-9-5-3-6-10-17)22(18-11-7-4-8-12-18)19-13-15-20(23)16-14-19/h3-16,23H,2H2,1H3
    2.1.3 InChI Key
    YJVFSITVRZYTHO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)O)C3=CC=CC=C3
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 1,2-diphenyl-1-(4-hydroxyphenyl)but-1-ene

    2. 1-(4-hydroxyphenyl)-1,2-diphenyl-1-butene

    3. 1-(4-hydroxyphenyl)-1,2-diphenylbut-1-ene

    4. 1-hpdpb

    5. Tamoxifen Metabolite E

    2.2.2 Depositor-Supplied Synonyms

    1. 68684-63-9

    2. Cid 63063

    3. 4-[1,2-diphenylbut-1-enyl]phenol

    4. Lczc1435

    5. Schembl5354177

    6. Dtxsid701294588

    7. 4-(1,2-diphenyl-1-buten-1-yl)phenol

    8. (z)-4-(1,2-diphenylbut-1-en-1-yl)phenol

    9. (ez)-1-(4-hydroxyphenyl)-1,2-diphenylbut-1-ene

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 300.4 g/mol
    Molecular Formula C22H20O
    XLogP36.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count4
    Exact Mass300.151415257 g/mol
    Monoisotopic Mass300.151415257 g/mol
    Topological Polar Surface Area20.2 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity377
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count1
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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