ChemSpider 2D Image | 3-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2,3-dihydro-4H-chromen-4-one | C20H22O7

3-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC20H22O7
  • Average mass374.384 Da
  • Monoisotopic mass374.136566 Da
  • ChemSpider ID21207180

More details:

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

3-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
3-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
3-(2,4-Dihydroxyphényl)-5,7-dihydroxy-8-(3-hydroxy-3-méthylbutyl)-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-(2,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-8-(3-hydroxy-3-methylbutyl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 677.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.5±3.0 kJ/mol
Flash Point: 243.7±25.0 °C
Index of Refraction: 1.664
Molar Refractivity: 97.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 2.86
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 89.91
ACD/KOC (pH 5.5): 868.54
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 7.4): 47.61
ACD/KOC (pH 7.4): 459.93
Polar Surface Area: 127 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 72.2±3.0 dyne/cm
Molar Volume: 261.6±3.0 cm3

Click to predict properties on the Chemicalize site


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