Cas no 75335-15-8 (1-(3,4-dimethoxyphenyl)-3-phenylpropane-1,3-dione)

1-(3,4-dimethoxyphenyl)-3-phenylpropane-1,3-dione structure
75335-15-8 structure
Product Name:1-(3,4-dimethoxyphenyl)-3-phenylpropane-1,3-dione
CAS No:75335-15-8
MF:C17H16O4
MW:284.306545257568
CID:1773235
PubChem ID:153629
Update Time:2025-04-21

1-(3,4-dimethoxyphenyl)-3-phenylpropane-1,3-dione Chemical and Physical Properties

Names and Identifiers

    • 1-(3,4-dimethoxyphenyl)-3-phenylpropane-1,3-dione
    • 1-(3,4-Dimethoxyphenyl)-3-phenyl-1,3-propanedione
    • 75335-15-8
    • DTXSID70226295
    • Inchi: 1S/C17H16O4/c1-20-16-9-8-13(10-17(16)21-2)15(19)11-14(18)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3
    • InChI Key: MDBPNCYUBGPIMX-UHFFFAOYSA-N
    • SMILES: O(C)C1=C(C=CC(=C1)C(CC(C1C=CC=CC=1)=O)=O)OC

Computed Properties

  • Exact Mass: 284.10485899g/mol
  • Monoisotopic Mass: 284.10485899g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 6
  • Complexity: 360
  • 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: 3.1
  • Topological Polar Surface Area: 52.6?2
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