ChemSpider 2D Image | 5-Hydroxy-3-(4-methoxyphenyl)-4-oxo-7-chromanolate | C16H13O5

5-Hydroxy-3-(4-methoxyphenyl)-4-oxo-7-chromanolate

  • Molecular FormulaC16H13O5
  • Average mass285.272 Da
  • Monoisotopic mass285.076843 Da
  • ChemSpider ID26330800

  • Charge - Charge

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-3-(4-methoxyphenyl)-, ion(1-) [ACD/Index Name]
5-Hydroxy-3-(4-methoxyphenyl)-4-oxo-7-chromanolat [German] [ACD/IUPAC Name]
5-Hydroxy-3-(4-methoxyphenyl)-4-oxo-7-chromanolate [ACD/IUPAC Name]
5-Hydroxy-3-(4-méthoxyphényl)-4-oxo-7-chromanolate [French] [ACD/IUPAC Name]
2,3-dihydrobiochanin A anion
2,3-dihydrobiochanin A(1-)
5-hydroxy-3-(4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-olate
5-hydroxy-3-(4-methoxyphenyl)-4-oxochroman-7-olate
dihydrobiochanin A
  • Miscellaneous

    • Chemical Class:

      Conjugate base of 2,3-dihydrobiochanin A arising from selective deprotonation of the 7-hydroxy group. ChEBI CHEBI:57480

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point: 539.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.8±3.0 kJ/mol
Flash Point: 205.8±23.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 154.48
ACD/KOC (pH 5.5): 1276.79
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 61.95
ACD/KOC (pH 7.4): 512.07
Polar Surface Area: 79 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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