ChemSpider 2D Image | 5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4H-chromen-4-one | C21H20O6

5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4H-chromen-4-one

  • Molecular FormulaC21H20O6
  • Average mass368.380 Da
  • Monoisotopic mass368.125977 Da
  • ChemSpider ID23331865

More details:

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

4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)- [ACD/Index Name]
5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4H-chromen-4-on [German] [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4H-chromen-4-one [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-hydroxy-3-méthoxyphényl)-8-(3-méthyl-2-butén-1-yl)-4H-chromén-4-one [French] [ACD/IUPAC Name]
199167-23-2 [RN]
5,7,4'-Trihydroxy-3'-methoxy -8-(3,3-dimethylallyl)-flavone
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4H-chromen-4-one
Caflanone
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL508977/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 605.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.3±3.0 kJ/mol
Flash Point: 215.9±25.0 °C
Index of Refraction: 1.649
Molar Refractivity: 99.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 3.74
ACD/BCF (pH 5.5): 400.20
ACD/KOC (pH 5.5): 2472.99
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 47.12
ACD/KOC (pH 7.4): 291.14
Polar Surface Area: 96 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 59.7±3.0 dyne/cm
Molar Volume: 274.3±3.0 cm3

Click to predict properties on the Chemicalize site


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