ChemSpider 2D Image | 3-[2,4-Dimethoxy-3-(3-methyl-2-buten-2-yl)phenyl]-3,5,7-trihydroxy-2,3-dihydro-4H-chromen-4-one | C22H24O7

3-[2,4-Dimethoxy-3-(3-methyl-2-buten-2-yl)phenyl]-3,5,7-trihydroxy-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC22H24O7
  • Average mass400.422 Da
  • Monoisotopic mass400.152191 Da
  • ChemSpider ID24629343

More details:

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

3-[2,4-Dimethoxy-3-(3-methyl-2-buten-2-yl)phenyl]-3,5,7-trihydroxy-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
3-[2,4-Dimethoxy-3-(3-methyl-2-buten-2-yl)phenyl]-3,5,7-trihydroxy-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
3-[2,4-Diméthoxy-3-(3-méthyl-2-butén-2-yl)phényl]-3,5,7-trihydroxy-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[3-(1,2-dimethyl-1-propen-1-yl)-2,4-dimethoxyphenyl]-2,3-dihydro-3,5,7-trihydroxy- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 641.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.5±3.0 kJ/mol
Flash Point: 224.6±25.0 °C
Index of Refraction: 1.617
Molar Refractivity: 106.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.24
ACD/LogD (pH 5.5): 4.29
ACD/BCF (pH 5.5): 1066.55
ACD/KOC (pH 5.5): 5079.79
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 341.87
ACD/KOC (pH 7.4): 1628.27
Polar Surface Area: 105 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 55.0±3.0 dyne/cm
Molar Volume: 305.4±3.0 cm3

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