ChemSpider 2D Image | 2-[3,5-Dihydroxy-2-(3-methyl-2-buten-1-yl)phenyl]-5,7-dihydroxy-8-(3-methyl-2-buten-1-yl)-4H-chromen-4-one | C25H26O6

2-[3,5-Dihydroxy-2-(3-methyl-2-buten-1-yl)phenyl]-5,7-dihydroxy-8-(3-methyl-2-buten-1-yl)-4H-chromen-4-one

  • Molecular FormulaC25H26O6
  • Average mass422.470 Da
  • Monoisotopic mass422.172943 Da
  • ChemSpider ID23314528

More details:

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

2-[3,5-Dihydroxy-2-(3-methyl-2-buten-1-yl)phenyl]-5,7-dihydroxy-8-(3-methyl-2-buten-1-yl)-4H-chromen-4-on [German] [ACD/IUPAC Name]
2-[3,5-Dihydroxy-2-(3-methyl-2-buten-1-yl)phenyl]-5,7-dihydroxy-8-(3-methyl-2-buten-1-yl)-4H-chromen-4-one [ACD/IUPAC Name]
2-[3,5-Dihydroxy-2-(3-méthyl-2-butén-1-yl)phényl]-5,7-dihydroxy-8-(3-méthyl-2-butén-1-yl)-4H-chromén-4-one [French] [ACD/IUPAC Name]
2-[3,5-dihydroxy-2-(3-methylbut-2-en-1-yl)phenyl]-5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)-4H-chromen-4-one
4H-1-Benzopyran-4-one, 2-[3,5-dihydroxy-2-(3-methyl-2-buten-1-yl)phenyl]-5,7-dihydroxy-8-(3-methyl-2-buten-1-yl)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL402391/
vogelin C

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

Density: 1.3±0.1 g/cm3
Boiling Point: 662.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.0±3.0 kJ/mol
Flash Point: 226.8±25.0 °C
Index of Refraction: 1.650
Molar Refractivity: 118.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.41
ACD/LogD (pH 5.5): 5.89
ACD/BCF (pH 5.5): 17319.37
ACD/KOC (pH 5.5): 36690.83
ACD/LogD (pH 7.4): 4.97
ACD/BCF (pH 7.4): 2054.48
ACD/KOC (pH 7.4): 4352.38
Polar Surface Area: 107 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 59.6±3.0 dyne/cm
Molar Volume: 324.5±3.0 cm3

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