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    Chemistry

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    Also known as: 1140968-46-2, 2-({2-[2-(3-methoxyphenyl)ethyl]phenoxy}methyl)oxirane, 2-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]oxirane, Schembl4174576, Db-134264, 2-((2-(3-methoxyphenethyl)phenoxy)methyl)oxirane
    Molecular Formula
    C18H20O3
    Molecular Weight
    284.3  g/mol
    InChI Key
    DPMWIGJMZMLAQD-UHFFFAOYSA-N
    CAS 1140968-46-2
    1 2D Structure

    CAS 1140968-46-2

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]oxirane
    2.1.2 InChI
    InChI=1S/C18H20O3/c1-19-16-7-4-5-14(11-16)9-10-15-6-2-3-8-18(15)21-13-17-12-20-17/h2-8,11,17H,9-10,12-13H2,1H3
    2.1.3 InChI Key
    DPMWIGJMZMLAQD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=CC=CC(=C1)CCC2=CC=CC=C2OCC3CO3
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1140968-46-2

    2. 2-({2-[2-(3-methoxyphenyl)ethyl]phenoxy}methyl)oxirane

    3. 2-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]oxirane

    4. Schembl4174576

    5. Db-134264

    6. 2-((2-(3-methoxyphenethyl)phenoxy)methyl)oxirane

    2.3 Create Date
    2015-02-12
    3 Chemical and Physical Properties
    Molecular Weight 284.3 g/mol
    Molecular Formula C18H20O3
    XLogP33.8
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count7
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area31
    Heavy Atom Count21
    Formal Charge0
    Complexity307
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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