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    BUILDING BLOCK

    PharmaCompass

    Chemistry

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    Also known as: 2-((benzyloxy)methyl)cyclopent-3-enol, 2-(phenylmethoxymethyl)cyclopent-3-en-1-ol, 959973-63-8, (1s, 2r)-2-(benzyloxymethyl)-1-hydroxy-3-cyclopentene, Mfcd09263486, Akos032947312
    Molecular Formula
    C13H16O2
    Molecular Weight
    204.26  g/mol
    InChI Key
    WACMQXMZXZTKIV-UHFFFAOYSA-N
    CAS 959973-63-8
    1 2D Structure

    CAS 959973-63-8

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(phenylmethoxymethyl)cyclopent-3-en-1-ol
    2.1.2 InChI
    InChI=1S/C13H16O2/c14-13-8-4-7-12(13)10-15-9-11-5-2-1-3-6-11/h1-7,12-14H,8-10H2
    2.1.3 InChI Key
    WACMQXMZXZTKIV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1C=CC(C1O)COCC2=CC=CC=C2
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 2-((benzyloxy)methyl)cyclopent-3-enol

    2. 2-(phenylmethoxymethyl)cyclopent-3-en-1-ol

    3. 959973-63-8

    4. (1s, 2r)-2-(benzyloxymethyl)-1-hydroxy-3-cyclopentene

    5. Mfcd09263486

    6. Akos032947312

    7. Sy111013

    8. Ft-0773876

    9. (1s,2r)-2-[(benzyloxy)methyl]-3-cyclopentenol

    2.3 Create Date
    2007-02-09
    3 Chemical and Physical Properties
    Molecular Weight 204.26 g/mol
    Molecular Formula C13H16O2
    XLogP31.9
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count4
    Exact Mass204.115029749 g/mol
    Monoisotopic Mass204.115029749 g/mol
    Topological Polar Surface Area29.5 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity207
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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