Cas no 56774-68-6 (Ethanone, 1-[3,4-dimethoxy-2-(phenylmethoxy)phenyl]-)

Ethanone, 1-[3,4-dimethoxy-2-(phenylmethoxy)phenyl]- structure
56774-68-6 structure
Product Name:Ethanone, 1-[3,4-dimethoxy-2-(phenylmethoxy)phenyl]-
CAS No:56774-68-6
MF:C17H18O4
MW:286.322425365448
CID:347855
PubChem ID:15363936
Update Time:2025-04-19

Ethanone, 1-[3,4-dimethoxy-2-(phenylmethoxy)phenyl]- Chemical and Physical Properties

Names and Identifiers

    • Ethanone, 1-[3,4-dimethoxy-2-(phenylmethoxy)phenyl]-
    • 1-(3,4-dimethoxy-2-phenylmethoxyphenyl)ethanone
    • DTXSID90572004
    • 1-[2-(Benzyloxy)-3,4-dimethoxyphenyl]ethan-1-one
    • SCHEMBL6452345
    • 56774-68-6
    • Inchi: 1S/C17H18O4/c1-12(18)14-9-10-15(19-2)17(20-3)16(14)21-11-13-7-5-4-6-8-13/h4-10H,11H2,1-3H3
    • InChI Key: SHMUDRRHRMAIJU-UHFFFAOYSA-N
    • SMILES: O(CC1C=CC=CC=1)C1C(=C(C=CC=1C(C)=O)OC)OC

Computed Properties

  • Exact Mass: 286.12054
  • Monoisotopic Mass: 286.12050905g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 6
  • Complexity: 325
  • 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: 44.8?2

Experimental Properties

  • PSA: 44.76
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