ChemSpider 2D Image | 3-(3,4-Dimethoxyphenyl)-5-hydroxy-10-{3-methoxy-4-[(2-methyl-2-propen-1-yl)oxy]phenyl}-9,10-dihydro-4H,8H-pyrano[2,3-f]chromene-4,8-dione | C31H28O9

3-(3,4-Dimethoxyphenyl)-5-hydroxy-10-{3-methoxy-4-[(2-methyl-2-propen-1-yl)oxy]phenyl}-9,10-dihydro-4H,8H-pyrano[2,3-f]chromene-4,8-dione

  • Molecular FormulaC31H28O9
  • Average mass544.549 Da
  • Monoisotopic mass544.173340 Da
  • ChemSpider ID44206538

More details:

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

3-(3,4-Dimethoxyphenyl)-5-hydroxy-10-{3-methoxy-4-[(2-methyl-2-propen-1-yl)oxy]phenyl}-9,10-dihydro-4H,8H-pyrano[2,3-f]chromen-4,8-dion [German] [ACD/IUPAC Name]
3-(3,4-Dimethoxyphenyl)-5-hydroxy-10-{3-methoxy-4-[(2-methyl-2-propen-1-yl)oxy]phenyl}-9,10-dihydro-4H,8H-pyrano[2,3-f]chromene-4,8-dione [ACD/IUPAC Name]
3-(3,4-Diméthoxyphényl)-5-hydroxy-10-{3-méthoxy-4-[(2-méthyl-2-propén-1-yl)oxy]phényl}-9,10-dihydro-4H,8H-pyrano[2,3-f]chromène-4,8-dione [French] [ACD/IUPAC Name]
4H,8H-Benzo[1,2-b:3,4-b']dipyran-4,8-dione, 3-(3,4-dimethoxyphenyl)-9,10-dihydro-5-hydroxy-10-[3-methoxy-4-[(2-methyl-2-propen-1-yl)oxy]phenyl]- [ACD/Index Name]
3-(3,4-dimethoxyphenyl)-5-hydroxy-10-(3-methoxy-4-((2-methylallyl)oxy)phenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione

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

Density: 1.3±0.1 g/cm3
Boiling Point: 692.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.1±3.0 kJ/mol
Flash Point: 225.1±25.0 °C
Index of Refraction: 1.611
Molar Refractivity: 144.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.03
ACD/LogD (pH 5.5): 4.59
ACD/BCF (pH 5.5): 1641.37
ACD/KOC (pH 5.5): 6151.81
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 58.67
ACD/KOC (pH 7.4): 219.91
Polar Surface Area: 110 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 51.4±3.0 dyne/cm
Molar Volume: 416.7±3.0 cm3

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