Cas no 898794-78-0 (3-(2,5-Dimethylphenyl)-4'-methylpropiophenone)

3-(2,5-Dimethylphenyl)-4'-methylpropiophenone is a specialized organic compound featuring a propiophenone backbone substituted with a 2,5-dimethylphenyl group at the 3-position and a methyl group at the 4'-position. This structure imparts unique steric and electronic properties, making it valuable in synthetic chemistry applications, particularly as an intermediate in pharmaceutical and agrochemical research. Its well-defined molecular architecture ensures consistent reactivity, facilitating controlled transformations in multi-step syntheses. The compound's stability under standard conditions and compatibility with various reaction conditions enhance its utility in organic synthesis. Its distinct substitution pattern also offers potential for further functionalization, broadening its applicability in the development of complex molecular frameworks.
3-(2,5-Dimethylphenyl)-4'-methylpropiophenone structure
898794-78-0 structure
Product Name:3-(2,5-Dimethylphenyl)-4'-methylpropiophenone
CAS No:898794-78-0
MF:C18H20O
MW:252.350805282593
CID:874808
PubChem ID:24726326
Update Time:2025-06-08

3-(2,5-Dimethylphenyl)-4'-methylpropiophenone Chemical and Physical Properties

Names and Identifiers

    • 3-(2,5-dimethylphenyl)-1-(4-methylphenyl)propan-1-one
    • 3-(2,5-DIMETHYLPHENYL)-4'-METHYLPROPIOPHENONE
    • AKOS016021749
    • 898794-78-0
    • MFCD03843714
    • DTXSID30644719
    • 3-(2,5-Dimethylphenyl)-4'-methylpropiophenone
    • MDL: MFCD03843714
    • Inchi: 1S/C18H20O/c1-13-5-8-16(9-6-13)18(19)11-10-17-12-14(2)4-7-15(17)3/h4-9,12H,10-11H2,1-3H3
    • InChI Key: HBMSBCXGECUROR-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC(C)=CC=1)CCC1C=C(C)C=CC=1C

Computed Properties

  • Exact Mass: 252.151415257g/mol
  • Monoisotopic Mass: 252.151415257g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 288
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.6
  • Topological Polar Surface Area: 17.1?2

3-(2,5-Dimethylphenyl)-4'-methylpropiophenone Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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