ChemSpider 2D Image | (4aR,8aR)-1-[2-(4-Hydroxyphenyl)ethyl]-3,8a-dimethyl-5-methylene-1,4,4a,5,6,7,8,8a-octahydro-2H-benzo[f]indol-2-one | C23H27NO2

(4aR,8aR)-1-[2-(4-Hydroxyphenyl)ethyl]-3,8a-dimethyl-5-methylene-1,4,4a,5,6,7,8,8a-octahydro-2H-benzo[f]indol-2-one

  • Molecular FormulaC23H27NO2
  • Average mass349.466 Da
  • Monoisotopic mass349.204193 Da
  • ChemSpider ID40256579

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4aR,8aR)-1-[2-(4-Hydroxyphenyl)ethyl]-3,8a-dimethyl-5-methylen-1,4,4a,5,6,7,8,8a-octahydro-2H-benzo[f]indol-2-on [German] [ACD/IUPAC Name]
(4aR,8aR)-1-[2-(4-Hydroxyphenyl)ethyl]-3,8a-dimethyl-5-methylene-1,4,4a,5,6,7,8,8a-octahydro-2H-benzo[f]indol-2-one [ACD/IUPAC Name]
(4aR,8aR)-1-[2-(4-Hydroxyphényl)éthyl]-3,8a-diméthyl-5-méthylène-1,4,4a,5,6,7,8,8a-octahydro-2H-benzo[f]indol-2-one [French] [ACD/IUPAC Name]
2H-Benz[f]indol-2-one, 1,4,4a,5,6,7,8,8a-octahydro-1-[2-(4-hydroxyphenyl)ethyl]-3,8a-dimethyl-5-methylene-, (4aR,8aR)- [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: 589.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.2±3.0 kJ/mol
Flash Point: 310.3±30.1 °C
Index of Refraction: 1.621
Molar Refractivity: 103.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.22
ACD/LogD (pH 5.5): 4.82
ACD/BCF (pH 5.5): 2722.90
ACD/KOC (pH 5.5): 10008.90
ACD/LogD (pH 7.4): 4.82
ACD/BCF (pH 7.4): 2715.42
ACD/KOC (pH 7.4): 9981.42
Polar Surface Area: 41 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 51.1±5.0 dyne/cm
Molar Volume: 294.2±5.0 cm3

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