ChemSpider 2D Image | 8-(2,4-Dihydroxy-6-pentylphenoxy)-6-hydroxy-3-pentyl-1H-isochromen-1-one | C25H30O6

8-(2,4-Dihydroxy-6-pentylphenoxy)-6-hydroxy-3-pentyl-1H-isochromen-1-one

  • Molecular FormulaC25H30O6
  • Average mass426.502 Da
  • Monoisotopic mass426.204254 Da
  • ChemSpider ID22370195

More details:

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

1H-2-Benzopyran-1-one, 8-(2,4-dihydroxy-6-pentylphenoxy)-6-hydroxy-3-pentyl- [ACD/Index Name]
8-(2,4-Dihydroxy-6-pentylphenoxy)-6-hydroxy-3-pentyl-1H-isochromen-1-on [German] [ACD/IUPAC Name]
8-(2,4-Dihydroxy-6-pentylphenoxy)-6-hydroxy-3-pentyl-1H-isochromen-1-one [ACD/IUPAC Name]
8-(2,4-Dihydroxy-6-pentylphénoxy)-6-hydroxy-3-pentyl-1H-isochromén-1-one [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 610.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.0±3.0 kJ/mol
Flash Point: 205.1±25.0 °C
Index of Refraction: 1.592
Molar Refractivity: 118.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 7.46
ACD/LogD (pH 5.5): 7.00
ACD/BCF (pH 5.5): 121659.34
ACD/KOC (pH 5.5): 150775.55
ACD/LogD (pH 7.4): 6.51
ACD/BCF (pH 7.4): 39592.89
ACD/KOC (pH 7.4): 49068.48
Polar Surface Area: 96 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 51.6±3.0 dyne/cm
Molar Volume: 350.4±3.0 cm3

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