ChemSpider 2D Image | 2-[2,4-Dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl]-6-hydroxy-7-(3-methyl-2-buten-1-yl)-1-benzofuran-3-carboxylic acid | C25H26O6

2-[2,4-Dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl]-6-hydroxy-7-(3-methyl-2-buten-1-yl)-1-benzofuran-3-carboxylic acid

  • Molecular FormulaC25H26O6
  • Average mass422.470 Da
  • Monoisotopic mass422.172943 Da
  • ChemSpider ID24676167

More details:

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2-[2,4-Dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl]-6-hydroxy-7-(3-methyl-2-buten-1-yl)-1-benzofuran-3-carbonsäure [German] [ACD/IUPAC Name]
2-[2,4-Dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl]-6-hydroxy-7-(3-methyl-2-buten-1-yl)-1-benzofuran-3-carboxylic acid [ACD/IUPAC Name]
3-Benzofurancarboxylic acid, 2-[2,4-dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl]-6-hydroxy-7-(3-methyl-2-buten-1-yl)- [ACD/Index Name]
Acide 2-[2,4-dihydroxy-5-(3-méthyl-2-butén-1-yl)phényl]-6-hydroxy-7-(3-méthyl-2-butén-1-yl)-1-benzofurane-3-carboxylique [French] [ACD/IUPAC Name]
erythribyssin F

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

Density: 1.3±0.1 g/cm3
Boiling Point: 531.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.9±3.0 kJ/mol
Flash Point: 275.1±30.1 °C
Index of Refraction: 1.647
Molar Refractivity: 120.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.25
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 19.76
ACD/KOC (pH 5.5): 60.34
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 3.75
ACD/KOC (pH 7.4): 11.46
Polar Surface Area: 111 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 55.7±3.0 dyne/cm
Molar Volume: 331.0±3.0 cm3

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