Cas no 117048-60-9 (Phenol,5-[(1Z)-2-(3,4-dimethoxyphenyl)ethenyl]-2,3-dimethoxy-)

Phenol,5-[(1Z)-2-(3,4-dimethoxyphenyl)ethenyl]-2,3-dimethoxy- structure
117048-60-9 structure
Product Name:Phenol,5-[(1Z)-2-(3,4-dimethoxyphenyl)ethenyl]-2,3-dimethoxy-
CAS No:117048-60-9
MF:C18H20O5
MW:316.348405838013
CID:182764
PubChem ID:5386528
Update Time:2025-04-19

Phenol,5-[(1Z)-2-(3,4-dimethoxyphenyl)ethenyl]-2,3-dimethoxy- Chemical and Physical Properties

Names and Identifiers

    • Phenol,5-[(1Z)-2-(3,4-dimethoxyphenyl)ethenyl]-2,3-dimethoxy-
    • 5-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-2,3-dimethoxyphenol
    • combretastatin A5
    • 5-(2-(3,4-Dimethoxyphenyl)ethenyl)-2,3-dimethoxy-(Z)phenol
    • Combretastatin A-5
    • Combretastatin A-6
    • Phenol, 5-(2-(3,4-dimethoxyphenyl)ethenyl)-2,3-dimethoxy-(Z)-
    • (Z)-3',4,4',5-Tetramethoxy-3-hydroxystilbene
    • 2,3-Dimethoxy-5-[(Z)-3,4-dimethoxystyryl]phenol
    • DTXSID701188478
    • 5-[(1Z)-2-(3,4-Dimethoxyphenyl)ethenyl]-2,3-dimethoxyphenol
    • 117048-60-9
    • Combretastatins A-5
    • NSC613730
    • CHEMBL44704
    • NSC-613730
    • Inchi: 1S/C18H20O5/c1-20-15-8-7-12(10-16(15)21-2)5-6-13-9-14(19)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-
    • InChI Key: IMUMNNFSYPVDEW-WAYWQWQTSA-N
    • SMILES: O(C)C1=C(C(=CC(/C=C\C2C=CC(=C(C=2)OC)OC)=C1)O)OC

Computed Properties

  • Exact Mass: 316.1311
  • Monoisotopic Mass: 316.13107373g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 6
  • Complexity: 372
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.7
  • Topological Polar Surface Area: 57.2?2

Experimental Properties

  • PSA: 57.15
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