Cas no 111394-46-8 (Phenol,5-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-2,3-dimethoxy-)

Phenol,5-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-2,3-dimethoxy- structure
111394-46-8 structure
Product Name:Phenol,5-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-2,3-dimethoxy-
CAS No:111394-46-8
MF:C17H20O5
MW:304.337705612183
CID:202351
Update Time:2024-11-05

Phenol,5-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-2,3-dimethoxy- Chemical and Physical Properties

Names and Identifiers

    • Phenol,5-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-2,3-dimethoxy-
    • CombretastatinB2
    • Phenol, 5-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-2,3-dimethoxy-
    • Inchi： 1S/C17H20O5/c1-20-15-7-6-11(8-13(15)18)4-5-12-9-14(19)17(22-3)16(10-12)21-2/h6-10,18-19H,4-5H2,1-3H3
    • InChI Key： BETOGTZTMXFWKW-UHFFFAOYSA-N
    • SMILES： C1(O)=CC(CCC2=CC=C(OC)C(O)=C2)=CC(OC)=C1OC

Computed Properties

  • Exact Mass: 304.1311
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 22
  • XLogP3: 2.156

Experimental Properties

  • Density: 1.208±0.06 g/cm3(Predicted)
  • Boiling Point: 464.8±40.0 °C(Predicted)
  • PSA: 68.15
  • pka: 9?+-.0.15(Predicted)

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