Cas no 56581-76-1 (4H-1-Benzopyran-4-one,7-hydroxy-3-(4-hydroxy-2-methoxyphenyl)-)

4H-1-Benzopyran-4-one,7-hydroxy-3-(4-hydroxy-2-methoxyphenyl)- structure
56581-76-1 structure
Product Name:4H-1-Benzopyran-4-one,7-hydroxy-3-(4-hydroxy-2-methoxyphenyl)-
CAS No:56581-76-1
MF:C16H12O5
MW:284.263484954834
CID:377907
PubChem ID:14077813
Update Time:2025-04-19

4H-1-Benzopyran-4-one,7-hydroxy-3-(4-hydroxy-2-methoxyphenyl)- Chemical and Physical Properties

Names and Identifiers

    • 4H-1-Benzopyran-4-one,7-hydroxy-3-(4-hydroxy-2-methoxyphenyl)-
    • 3-(4-hydroxy-2-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
    • 4',7-DIHYDROXY-2'-METHOXYISOFLAVAN
    • 4?7-DIHYDROXY-2?METHOXYISOFLAVAN
    • 4',7-Dihydroxy-2'-methoxyisoflavon
    • 7,4'-Dihydroxy-2'-methoxyisoflavan
    • 7,4'-Dihydroxy-2'-methoxyisoflavon
    • Isovestitol
    • 4',7-dihydroxy-2'-methoxyisoflavone
    • 7-Hydroxy-3-(4-hydroxy-2-methoxyphenyl)-4H-chromen-4-one
    • 4',7-Dihydroxy-2-methoxyisoflavone
    • 7-hydroxy-3-(4-hydroxy-2-methoxyphenyl)chromen-4-one
    • LMPK12050084
    • Teralin
    • 56581-76-1
    • SCHEMBL13669867
    • Inchi： 1S/C16H12O5/c1-20-14-6-9(17)2-4-11(14)13-8-21-15-7-10(18)3-5-12(15)16(13)19/h2-8,17-18H,1H3
    • InChI Key： MXDNXMXAOOHCKT-UHFFFAOYSA-N
    • SMILES： O1C=C(C(C2C=CC(=CC1=2)O)=O)C1C=CC(=CC=1OC)O

Computed Properties

  • Exact Mass: 284.06800
  • Monoisotopic Mass: 284.06847348g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 2
  • Complexity: 432
  • 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: 2.4
  • Topological Polar Surface Area: 76?2

Experimental Properties

  • Density: 1.42
  • Boiling Point: 559.8°Cat760mmHg
  • Flash Point: 215°C
  • Refractive Index: 1.668
  • PSA: 79.90000
  • LogP: 2.87980

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