ChemSpider 2D Image | 5,7-Dihydroxy-2-{4-[(2-hydroxy-3-methyl-3-buten-1-yl)oxy]phenyl}-6-methoxy-4H-chromen-4-one | C21H20O7

5,7-Dihydroxy-2-{4-[(2-hydroxy-3-methyl-3-buten-1-yl)oxy]phenyl}-6-methoxy-4H-chromen-4-one

  • Molecular FormulaC21H20O7
  • Average mass384.379 Da
  • Monoisotopic mass384.120911 Da
  • ChemSpider ID28499583

More details:

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

4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-[4-[(2-hydroxy-3-methyl-3-buten-1-yl)oxy]phenyl]-6-methoxy- [ACD/Index Name]
5,7-Dihydroxy-2-{4-[(2-hydroxy-3-methyl-3-buten-1-yl)oxy]phenyl}-6-methoxy-4H-chromen-4-on [German] [ACD/IUPAC Name]
5,7-Dihydroxy-2-{4-[(2-hydroxy-3-methyl-3-buten-1-yl)oxy]phenyl}-6-methoxy-4H-chromen-4-one [ACD/IUPAC Name]
5,7-Dihydroxy-2-{4-[(2-hydroxy-3-méthyl-3-butén-1-yl)oxy]phényl}-6-méthoxy-4H-chromén-4-one [French] [ACD/IUPAC 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: 650.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.7±3.0 kJ/mol
Flash Point: 232.0±25.0 °C
Index of Refraction: 1.632
Molar Refractivity: 100.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 132.21
ACD/KOC (pH 5.5): 1103.98
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 9.37
ACD/KOC (pH 7.4): 78.25
Polar Surface Area: 105 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 59.0±3.0 dyne/cm
Molar Volume: 282.9±3.0 cm3

Click to predict properties on the Chemicalize site


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