ChemSpider 2D Image | 3-Butyl-7-(2,4-dihydroxy-6-pentylphenoxy)-3-hydroxy-5-methoxy-2-benzofuran-1(3H)-one | C24H30O7

3-Butyl-7-(2,4-dihydroxy-6-pentylphenoxy)-3-hydroxy-5-methoxy-2-benzofuran-1(3H)-one

  • Molecular FormulaC24H30O7
  • Average mass430.491 Da
  • Monoisotopic mass430.199158 Da
  • ChemSpider ID24627681

More details:

Featured data source
Natural Product Updates

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

1(3H)-Isobenzofuranone, 3-butyl-7-(2,4-dihydroxy-6-pentylphenoxy)-3-hydroxy-5-methoxy- [ACD/Index Name]
3-Butyl-7-(2,4-dihydroxy-6-pentylphenoxy)-3-hydroxy-5-methoxy-2-benzofuran-1(3H)-on [German] [ACD/IUPAC Name]
3-Butyl-7-(2,4-dihydroxy-6-pentylphenoxy)-3-hydroxy-5-methoxy-2-benzofuran-1(3H)-one [ACD/IUPAC Name]
3-Butyl-7-(2,4-dihydroxy-6-pentylphénoxy)-3-hydroxy-5-méthoxy-2-benzofuran-1(3H)-one [French] [ACD/IUPAC Name]
SAKISACAULON A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 636.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.8±3.0 kJ/mol
Flash Point: 215.9±25.0 °C
Index of Refraction: 1.585
Molar Refractivity: 116.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.02
ACD/LogD (pH 5.5): 4.40
ACD/BCF (pH 5.5): 1293.06
ACD/KOC (pH 5.5): 5872.52
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1236.35
ACD/KOC (pH 7.4): 5614.95
Polar Surface Area: 105 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 345.9±3.0 cm3

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