ChemSpider 2D Image | (4aR,10bS)-4-Propyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinolin-7-ol | C16H23NO

(4aR,10bS)-4-Propyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinolin-7-ol

  • Molecular FormulaC16H23NO
  • Average mass245.360 Da
  • Monoisotopic mass245.177963 Da
  • ChemSpider ID23163083

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4aR,10bS)-4-Propyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]chinolin-7-ol [German] [ACD/IUPAC Name]
(4aR,10bS)-4-Propyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoléin-7-ol [French] [ACD/IUPAC Name]
(4aR,10bS)-4-Propyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinolin-7-ol [ACD/IUPAC Name]
Benzo[f]quinolin-7-ol, 1,2,3,4,4a,5,6,10b-octahydro-4-propyl-, (4aR,10bS)- [ACD/Index Name]
(2S,7R)-6-propyl-6-azatricyclo[8.4.0.02,7]tetradeca-1(14),10,12-trien-11-ol
4-Propyl-1,2,3,4,4a,5,6,10b-octahydro-benzo[f]quinolin-7-ol
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL306162/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 368.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.0±3.0 kJ/mol
Flash Point: 171.5±26.5 °C
Index of Refraction: 1.554
Molar Refractivity: 74.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 0.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.71
ACD/LogD (pH 7.4): 1.17
ACD/BCF (pH 7.4): 1.22
ACD/KOC (pH 7.4): 8.44
Polar Surface Area: 23 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 39.5±3.0 dyne/cm
Molar Volume: 231.8±3.0 cm3

Click to predict properties on the Chemicalize site


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