ChemSpider 2D Image | 5,7-Dihydroxy-6-methoxy-2-{3-methoxy-4-[(3-methyl-2-buten-1-yl)oxy]phenyl}-4H-chromen-4-one | C22H22O7

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

  • Molecular FormulaC22H22O7
  • Average mass398.406 Da
  • Monoisotopic mass398.136566 Da
  • ChemSpider ID28532264

More details:






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

4H-1-Benzopyran-4-one, 5,7-dihydroxy-6-methoxy-2-[3-methoxy-4-[(3-methyl-2-buten-1-yl)oxy]phenyl]- [ACD/Index Name]
5,7-Dihydroxy-6-methoxy-2-{3-methoxy-4-[(3-methyl-2-buten-1-yl)oxy]phenyl}-4H-chromen-4-on [German] [ACD/IUPAC Name]
5,7-Dihydroxy-6-methoxy-2-{3-methoxy-4-[(3-methyl-2-buten-1-yl)oxy]phenyl}-4H-chromen-4-one [ACD/IUPAC Name]
5,7-Dihydroxy-6-méthoxy-2-{3-méthoxy-4-[(3-méthyl-2-butén-1-yl)oxy]phényl}-4H-chromén-4-one [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 618.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 216.6±25.0 °C
Index of Refraction: 1.609
Molar Refractivity: 106.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 3.86
ACD/BCF (pH 5.5): 489.87
ACD/KOC (pH 5.5): 2814.14
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 33.12
ACD/KOC (pH 7.4): 190.27
Polar Surface Area: 94 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 307.6±3.0 cm3

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