ChemSpider 2D Image | (2R,6R,11R)-3-benzyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol | C21H25NO

(2R,6R,11R)-3-benzyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol

  • Molecular FormulaC21H25NO
  • Average mass307.429 Da
  • Monoisotopic mass307.193604 Da
  • ChemSpider ID23217219

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,9R,13R)-10-Benzyl-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-4-ol [German] [ACD/IUPAC Name]
(1R,9R,13R)-10-Benzyl-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-4-ol [ACD/IUPAC Name]
(1R,9R,13R)-10-Benzyl-1,13-diméthyl-10-azatricyclo[7.3.1.02,7]tridéca-2,4,6-trién-4-ol [French] [ACD/IUPAC Name]
(2R,6R,11R)-3-benzyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol
2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(phenylmethyl)-, (2R,6R,11R)- [ACD/Index Name]
(2R,6R,11R)-3-Benzyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol
CHEMBL356486
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL356486/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 442.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.6±3.0 kJ/mol
Flash Point: 211.0±27.4 °C
Index of Refraction: 1.607
Molar Refractivity: 94.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 1.96
ACD/KOC (pH 5.5): 9.75
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 88.04
ACD/KOC (pH 7.4): 439.12
Polar Surface Area: 23 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 273.0±3.0 cm3

Click to predict properties on the Chemicalize site


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