ChemSpider 2D Image | 8-(4-Hydroxy-3-methoxyphenyl)-3,4-dihydro-1H-isochromene-6,7-diol | C16H16O5

8-(4-Hydroxy-3-methoxyphenyl)-3,4-dihydro-1H-isochromene-6,7-diol

  • Molecular FormulaC16H16O5
  • Average mass288.295 Da
  • Monoisotopic mass288.099762 Da
  • ChemSpider ID30776769

More details:

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

1H-2-Benzopyran-6,7-diol, 3,4-dihydro-8-(4-hydroxy-3-methoxyphenyl)- [ACD/Index Name]
8-(4-Hydroxy-3-methoxyphenyl)-3,4-dihydro-1H-isochromen-6,7-diol [German] [ACD/IUPAC Name]
8-(4-Hydroxy-3-methoxyphenyl)-3,4-dihydro-1H-isochromene-6,7-diol [ACD/IUPAC Name]
8-(4-Hydroxy-3-méthoxyphényl)-3,4-dihydro-1H-isochromène-6,7-diol [French] [ACD/IUPAC Name]
1-(3-Methoxy-4-hydroxy)-phenyl-6,7-dihydroxy-3,4-dihydro-1H-2-benzopyran
1-(3-Methoxy-4-hydroxy)-phenyl-6,7-dihydroxy-isochroman
8-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-1H-2-benzopyran-6,7-diol

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

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

Density: 1.4±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: 83.7±3.0 kJ/mol
Flash Point: 275.0±30.1 °C
Index of Refraction: 1.646
Molar Refractivity: 76.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.95
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 10.79
ACD/KOC (pH 5.5): 191.03
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 10.48
ACD/KOC (pH 7.4): 185.41
Polar Surface Area: 79 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 61.4±3.0 dyne/cm
Molar Volume: 211.9±3.0 cm3

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