Cas no 7468-58-8 (3-(3,4-dimethoxyphenyl)-1-phenylpropan-1-one)

3-(3,4-dimethoxyphenyl)-1-phenylpropan-1-one structure
7468-58-8 structure
Product Name:3-(3,4-dimethoxyphenyl)-1-phenylpropan-1-one
CAS No:7468-58-8
MF:C17H18O3
MW:270.323025226593
CID:979848
PubChem ID:346068
Update Time:2025-04-19

3-(3,4-dimethoxyphenyl)-1-phenylpropan-1-one Chemical and Physical Properties

Names and Identifiers

    • 3-(3,4-dimethoxyphenyl)-1-phenylpropan-1-one
    • 3-(3,4-Dimethoxyphenyl)-1-phenyl-1-propanone
    • 3-(3,4-dimethoxy-phenyl)-1-phenyl-propan-1-one
    • AC1L845Q
    • NSC404089
    • Propan-1-one, 3-(3,4-dimethoxyphenyl)-1-phenyl-
    • SureCN6202582
    • 7468-58-8
    • DTXSID60323484
    • NSC-404089
    • 3-(3,4-Dimethoxyphenyl)-1-phenyl-1-propanone #
    • DQLFXTOXRKXUMJ-UHFFFAOYSA-N
    • AKOS013827813
    • SCHEMBL6202582
    • Inchi: 1S/C17H18O3/c1-19-16-11-9-13(12-17(16)20-2)8-10-15(18)14-6-4-3-5-7-14/h3-7,9,11-12H,8,10H2,1-2H3
    • InChI Key: DQLFXTOXRKXUMJ-UHFFFAOYSA-N
    • SMILES: O(C)C1=C(C=CC(=C1)CCC(C1C=CC=CC=1)=O)OC

Computed Properties

  • Exact Mass: 270.12564
  • Monoisotopic Mass: 270.125594432g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 6
  • Complexity: 297
  • 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
  • Topological Polar Surface Area: 35.5?2

Experimental Properties

  • PSA: 35.53
  • LogP: 3.51930
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