ChemSpider 2D Image | (3R)-3-(3,4-Dihydroxyphenyl)-8-hydroxy-6-methoxy-3,4-dihydro-1(2H)-naphthalenone | C17H16O5

(3R)-3-(3,4-Dihydroxyphenyl)-8-hydroxy-6-methoxy-3,4-dihydro-1(2H)-naphthalenone

  • Molecular FormulaC17H16O5
  • Average mass300.306 Da
  • Monoisotopic mass300.099762 Da
  • ChemSpider ID29414677

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3-(3,4-Dihydroxyphényl)-8-hydroxy-6-méthoxy-3,4-dihydro-1(2H)-naphtalénone [French] [ACD/IUPAC Name]
(3R)-3-(3,4-Dihydroxyphenyl)-8-hydroxy-6-methoxy-3,4-dihydro-1(2H)-naphthalenone [ACD/IUPAC Name]
(3R)-3-(3,4-Dihydroxyphenyl)-8-hydroxy-6-methoxy-3,4-dihydro-1(2H)-naphthalinon [German] [ACD/IUPAC Name]
1(2H)-Naphthalenone, 3-(3,4-dihydroxyphenyl)-3,4-dihydro-8-hydroxy-6-methoxy-, (3R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 573.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.1±3.0 kJ/mol
Flash Point: 215.9±23.6 °C
Index of Refraction: 1.661
Molar Refractivity: 79.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.44
ACD/LogD (pH 5.5): 3.09
ACD/BCF (pH 5.5): 130.88
ACD/KOC (pH 5.5): 1138.49
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 97.20
ACD/KOC (pH 7.4): 845.50
Polar Surface Area: 87 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 64.9±3.0 dyne/cm
Molar Volume: 216.2±3.0 cm3

Click to predict properties on the Chemicalize site


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