Cas no 65568-08-3 (Ethanone, 2-(2,4-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)-)

Ethanone, 2-(2,4-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)- structure
65568-08-3 structure
Product Name:Ethanone, 2-(2,4-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)-
CAS No:65568-08-3
MF:C16H16O6
MW:304.294645309448
CID:398308
PubChem ID:11231970
Update Time:2025-04-19

Ethanone, 2-(2,4-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)- Chemical and Physical Properties

Names and Identifiers

    • Ethanone, 2-(2,4-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)-
    • 2-(2,4-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone
    • 65568-08-3
    • DTXSID60459595
    • SCHEMBL6478857
    • 2,4,6-trihydroxy-2',4'-dimethoxydesoxybenzoin
    • Inchi: 1S/C16H16O6/c1-21-11-4-3-9(15(8-11)22-2)5-12(18)16-13(19)6-10(17)7-14(16)20/h3-4,6-8,17,19-20H,5H2,1-2H3
    • InChI Key: YKPYDVAMLFJQLV-UHFFFAOYSA-N
    • SMILES: O(C)C1C=C(C=CC=1CC(C1C(=CC(=CC=1O)O)O)=O)OC

Computed Properties

  • Exact Mass: 304.09468
  • Monoisotopic Mass: 304.09468823g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 5
  • Complexity: 362
  • 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: 2.6
  • Topological Polar Surface Area: 96.2?2

Experimental Properties

  • PSA: 96.22

Ethanone, 2-(2,4-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)- Related Literature

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