ChemSpider 2D Image | (4aS,9aR)-4a-Ethyl-2-(2-phenylethyl)-1,2,3,4,4a,9a-hexahydro[1]benzofuro[2,3-c]pyridin-6-ol | C21H25NO2

(4aS,9aR)-4a-Ethyl-2-(2-phenylethyl)-1,2,3,4,4a,9a-hexahydro[1]benzofuro[2,3-c]pyridin-6-ol

  • Molecular FormulaC21H25NO2
  • Average mass323.429 Da
  • Monoisotopic mass323.188538 Da
  • ChemSpider ID23162841

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4aS,9aR)-4a-Ethyl-2-(2-phenylethyl)-1,2,3,4,4a,9a-hexahydro[1]benzofuro[2,3-c]pyridin-6-ol [ACD/IUPAC Name]
(4aS,9aR)-4a-Ethyl-2-(2-phenylethyl)-1,2,3,4,4a,9a-hexahydro[1]benzofuro[2,3-c]pyridin-6-ol [German] [ACD/IUPAC Name]
(4aS,9aR)-4a-Éthyl-2-(2-phényléthyl)-1,2,3,4,4a,9a-hexahydro[1]benzofuro[2,3-c]pyridin-6-ol [French] [ACD/IUPAC Name]
Benzofuro[2,3-c]pyridin-6-ol, 4a-ethyl-1,2,3,4,4a,9a-hexahydro-2-(2-phenylethyl)-, (4aS,9aR)- [ACD/Index Name]
(4aS,9aR)-4a-Ethyl-2-phenethyl-1,2,3,4,4a,9a-hexahydro-benzo[4,5]furo[2,3-c]pyridin-6-ol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 478.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.1±3.0 kJ/mol
Flash Point: 243.3±28.7 °C
Index of Refraction: 1.596
Molar Refractivity: 95.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.79
ACD/LogD (pH 5.5): 0.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.75
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 6.81
ACD/KOC (pH 7.4): 41.31
Polar Surface Area: 33 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 281.6±3.0 cm3

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