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

3,5-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(3-methyl-2-buten-1-yl)oxy]-4H-chromen-4-one

  • Molecular FormulaC21H20O7
  • Average mass384.379 Da
  • Monoisotopic mass384.120911 Da
  • ChemSpider ID30656532

More details:

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

3,5-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(3-methyl-2-buten-1-yl)oxy]-4H-chromen-4-on [German] [ACD/IUPAC Name]
3,5-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(3-methyl-2-buten-1-yl)oxy]-4H-chromen-4-one [ACD/IUPAC Name]
3,5-Dihydroxy-2-(3-hydroxy-4-méthoxyphényl)-7-[(3-méthyl-2-butén-1-yl)oxy]-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(3-methyl-2-buten-1-yl)oxy]- [ACD/Index 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: 623.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.1±3.0 kJ/mol
Flash Point: 221.7±25.0 °C
Index of Refraction: 1.648
Molar Refractivity: 101.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.80
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 374.21
ACD/KOC (pH 5.5): 2308.44
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 28.56
ACD/KOC (pH 7.4): 176.18
Polar Surface Area: 105 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 61.8±3.0 dyne/cm
Molar Volume: 278.6±3.0 cm3

Click to predict properties on the Chemicalize site


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