ChemSpider 2D Image | 3-(2,4-Dihydroxyphenyl)-7-hydroxy-8-(3-hydroxy-3-methylbutyl)-2,3-dihydro-4H-chromen-4-one | C20H22O6

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

  • Molecular FormulaC20H22O6
  • Average mass358.385 Da
  • Monoisotopic mass358.141632 Da
  • ChemSpider ID24842910

More details:

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

3-(2,4-Dihydroxyphenyl)-7-hydroxy-8-(3-hydroxy-3-methylbutyl)-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
3-(2,4-Dihydroxyphenyl)-7-hydroxy-8-(3-hydroxy-3-methylbutyl)-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
3-(2,4-Dihydroxyphényl)-7-hydroxy-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-7-hydroxy-8-(3-hydroxy-3-methylbutyl)- [ACD/Index Name]
3-(2,4-dihydroxyphenyl)-7-hydroxy-8-(3-hydroxy-3-methylbutyl)-3,4-dihydro-2H-1-benzopyran-4-one
7,2',4'-Trihydroxy-8-(3-hydroxy-3-methylbutyl)isoflavanone

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

Density: 1.4±0.1 g/cm3
Boiling Point: 638.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 229.9±25.0 °C
Index of Refraction: 1.643
Molar Refractivity: 95.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.43
ACD/LogD (pH 5.5): 2.92
ACD/BCF (pH 5.5): 97.25
ACD/KOC (pH 5.5): 920.73
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 76.45
ACD/KOC (pH 7.4): 723.81
Polar Surface Area: 107 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 65.0±3.0 dyne/cm
Molar Volume: 263.2±3.0 cm3

Click to predict properties on the Chemicalize site


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