ChemSpider 2D Image | (2S,4aR,10bR)-2-Phenyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline-8,9-diol | C19H21NO2

(2S,4aR,10bR)-2-Phenyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline-8,9-diol

  • Molecular FormulaC19H21NO2
  • Average mass295.375 Da
  • Monoisotopic mass295.157227 Da
  • ChemSpider ID28653489

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,4aR,10bR)-2-Phenyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]chinolin-8,9-diol [German] [ACD/IUPAC Name]
(2S,4aR,10bR)-2-Phényl-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoléine-8,9-diol [French] [ACD/IUPAC Name]
(2S,4aR,10bR)-2-Phenyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline-8,9-diol [ACD/IUPAC Name]
Benzo[f]quinoline-8,9-diol, 1,2,3,4,4a,5,6,10b-octahydro-2-phenyl-, (2S,4aR,10bR)- [ACD/Index 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: 515.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.8±3.0 kJ/mol
Flash Point: 177.2±20.7 °C
Index of Refraction: 1.623
Molar Refractivity: 86.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.44
ACD/LogD (pH 7.4): 0.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.10
Polar Surface Area: 52 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 52.0±3.0 dyne/cm
Molar Volume: 245.3±3.0 cm3

Click to predict properties on the Chemicalize site


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