ChemSpider 2D Image | 3,5,7-Trihydroxy-2-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methyl-1-benzofuran-5-yl]-4H-chromen-4-one | C25H18O9

3,5,7-Trihydroxy-2-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methyl-1-benzofuran-5-yl]-4H-chromen-4-one

  • Molecular FormulaC25H18O9
  • Average mass462.405 Da
  • Monoisotopic mass462.095093 Da
  • ChemSpider ID76756218

More details:

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

3,5,7-Trihydroxy-2-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methyl-1-benzofuran-5-yl]-4H-chromen-4-on [German] [ACD/IUPAC Name]
3,5,7-Trihydroxy-2-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methyl-1-benzofuran-5-yl]-4H-chromen-4-one [ACD/IUPAC Name]
3,5,7-Trihydroxy-2-[7-hydroxy-2-(4-hydroxy-3-méthoxyphényl)-3-méthyl-1-benzofuran-5-yl]-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methyl-5-benzofuranyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 748.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.9±3.0 kJ/mol
Flash Point: 406.4±32.9 °C
Index of Refraction: 1.760
Molar Refractivity: 119.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 219.62
ACD/KOC (pH 5.5): 1567.05
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 10.07
ACD/KOC (pH 7.4): 71.88
Polar Surface Area: 150 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 83.9±3.0 dyne/cm
Molar Volume: 290.4±3.0 cm3

Click to predict properties on the Chemicalize site


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