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    CAS 3516-95-8

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 3516-95-8, 1-(2-hydroxyphenyl)-3-phenylpropan-1-one, 1-propanone, 1-(2-hydroxyphenyl)-3-phenyl-, 0ve7o0z9nz, Chembl490143, 1-(2-hydroxy-phenyl)-3-phenyl-propan-1-one
    Molecular Formula
    C15H14O2
    Molecular Weight
    226.27  g/mol
    InChI Key
    JCPGMXJLFWGRMZ-UHFFFAOYSA-N
    FDA UNII
    0VE7O0Z9NZ
    1-(2-hydroxyphenyl)-3-phenylpropan-1-one is a natural product found in Flindersia brassii and Peperomia obtusifolia with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(2-hydroxyphenyl)-3-phenylpropan-1-one
    2.1.2 InChI
    InChI=1S/C15H14O2/c16-14-9-5-4-8-13(14)15(17)11-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2
    2.1.3 InChI Key
    JCPGMXJLFWGRMZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C=C1)CCC(=O)C2=CC=CC=C2O
    2.2 Other Identifiers
    2.2.1 UNII
    0VE7O0Z9NZ
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 3516-95-8

    2. 1-(2-hydroxyphenyl)-3-phenylpropan-1-one

    3. 1-propanone, 1-(2-hydroxyphenyl)-3-phenyl-

    4. 0ve7o0z9nz

    5. Chembl490143

    6. 1-(2-hydroxy-phenyl)-3-phenyl-propan-1-one

    7. O-hydroxy-.beta.-phenyl Propiophenone

    8. Einecs 222-521-4

    9. Propafenone Ep Impurity A

    10. Unii-0ve7o0z9nz

    11. Schembl2827303

    12. Dtxsid3074658

    13. 2-hydroxyphenyl Phenethyl Ketone

    14. Jcpgmxjlfwgrmz-uhfffaoysa-

    15. Zinc388042

    16. 2'-hydroxy-beta-phenylpropiophenone

    17. Bdbm50250379

    18. Mfcd00002221

    19. 2-hydroxyphenyl 2-phenylethyl Ketone

    20. Akos009075984

    21. 2-hydroxy-3-phenylpropiophenone

    22. Ac-5612

    23. 2'-hydroxy-3-phenylpropiophenone, 97%

    24. As-14482

    25. 1-(2-hydroxyphenyl)-3-phenyl-1-propanone

    26. Db-004172

    27. .beta.-phenyl-2-hydroxypropiophenone

    28. A6178

    29. Ft-0634886

    30. H1313

    31. 1-propanone, 1-(2-hydroxyphenyl)-2-phenyl-

    32. En300-22391

    33. H10379

    34. A890149

    35. W-106689

    36. Q27231165

    37. Z1245646678

    38. Propafenone Hydrochloride Impurity A [ep Impurity]

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 226.27 g/mol
    Molecular Formula C15H14O2
    XLogP34
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count4
    Exact Mass226.099379685 g/mol
    Monoisotopic Mass226.099379685 g/mol
    Topological Polar Surface Area37.3 Ų
    Heavy Atom Count17
    Formal Charge0
    Complexity243
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1