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    CAS 27465-51-6

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 4'-ethylpropiophenone, 27465-51-6, P-ethylpropiophenone, 4-ethylpropiophenone, 1-propanone, 1-(4-ethylphenyl)-, 1-(4-ethylphenyl)-1-propanone
    Molecular Formula
    C11H14O
    Molecular Weight
    162.23  g/mol
    InChI Key
    VGQRIILEZYZAOE-UHFFFAOYSA-N
    1-(4-ethylphenyl)propan-1-one is a natural product found in Camellia sinensis with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(4-ethylphenyl)propan-1-one
    2.1.2 InChI
    InChI=1S/C11H14O/c1-3-9-5-7-10(8-6-9)11(12)4-2/h5-8H,3-4H2,1-2H3
    2.1.3 InChI Key
    VGQRIILEZYZAOE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCC1=CC=C(C=C1)C(=O)CC
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 4'-ethylpropiophenone

    2. 27465-51-6

    3. P-ethylpropiophenone

    4. 4-ethylpropiophenone

    5. 1-propanone, 1-(4-ethylphenyl)-

    6. 1-(4-ethylphenyl)-1-propanone

    7. Mfcd00191646

    8. Ethyl 4-ethylphenyl Ketone

    9. 4-athylpropiophenon

    10. P-aethylpropiophenon

    11. 3sz9

    12. Schembl1687863

    13. Vgqriilezyzaoe-uhfffaoysa-

    14. Dtxsid40342678

    15. 1-(4-ethylphenyl)-1-propanone #

    16. Albb-002889

    17. Zinc2556924

    18. Stk500495

    19. Akos000163012

    20. Cs-w010854

    21. Ac-10732

    22. Ds-17932

    23. Sy040616

    24. E0461

    25. Ft-0618422

    26. Ft-0653656

    27. En300-40806

    28. 4 Inverted Exclamation Mark -ethylpropiophenone

    29. A819077

    30. Q27461321

    31. Z1245633101

    2.3 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 162.23 g/mol
    Molecular Formula C11H14O
    XLogP33
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count3
    Exact Mass162.104465066 g/mol
    Monoisotopic Mass162.104465066 g/mol
    Topological Polar Surface Area17.1 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity143
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1