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    CAS 60658-04-0

    PharmaCompass
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    2D Structure
    Also known as: 60658-04-0, Ketoprofen ethyl ester, Dtxsid00432246, Ec 414-920-9, Refchem:593790, Dtxcid30383075
    Molecular Formula
    C18H18O3
    Molecular Weight
    282.3  g/mol
    InChI Key
    CQSMNXCTDMLMLM-UHFFFAOYSA-N
    FDA UNII
    TUT7CG65PF
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl 2-(3-benzoylphenyl)propanoate
    2.1.2 InChI
    InChI=1S/C18H18O3/c1-3-21-18(20)13(2)15-10-7-11-16(12-15)17(19)14-8-5-4-6-9-14/h4-13H,3H2,1-2H3
    2.1.3 InChI Key
    CQSMNXCTDMLMLM-UHFFFAOYSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    TUT7CG65PF
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 60658-04-0

    2. Ketoprofen Ethyl Ester

    3. Dtxsid00432246

    4. Ec 414-920-9

    5. Refchem:593790

    6. Dtxcid30383075

    7. 414-920-9

    8. Benzeneacetic Acid, 3-benzoyl-a-methyl-, Ethyl Ester

    9. Mfcd25292983

    10. Ethyl 2-(3-benzoylphenyl)propionate (ketoprofen Ethyl Ester)

    11. Ethyl 2-(3-benzoylphenyl)propionate; Ketoprofen Ethyl Ester

    12. Ethyl 2-(3-benzoylphenyl)propionate

    13. Tut7cg65pf

    14. Schembl9555892

    15. Chembl4168332

    16. Cqsmnxctdmlmlm-uhfffaoysa-n

    17. Ethyl2-(3-benzoylphenyl)propanoate

    18. Fk24803

    19. Bs-45472

    20. Sy402384

    21. Ns00077690

    22. Ethyl 2-[3-(phenylcarbonyl)phenyl]propanoate

    23. F72589

    24. F867717

    25. Benzeneacetic Acid, 3-benzoyl-alpha-methyl-, Ethyl Ester

    26. 3-benzoyl-a-methylbenzeneacetic Acid Ethyl Ester;ethyl 2-(3-benzoylphenyl)propionate

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 282.3 g/mol
    Molecular Formula C18H18O3
    XLogP33.8
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count6
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area43.4
    Heavy Atom Count21
    Formal Charge0
    Complexity357
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1