ChemSpider 2D Image | (4aR,7aR)-9-methoxy-3-methyl-2,4,4a,5,6,7a-hexahydro-1H-benzofuro[3,2-e]isoquinolin-7-one | C17H21NO3

(4aR,7aR)-9-methoxy-3-methyl-2,4,4a,5,6,7a-hexahydro-1H-benzofuro[3,2-e]isoquinolin-7-one

  • Molecular FormulaC17H21NO3
  • Average mass287.353 Da
  • Monoisotopic mass287.152130 Da
  • ChemSpider ID26646646

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(4aR,7aR)-9-Methoxy-3-methyl-2,3,4,4a,5,6-hexahydro-1H-[1]benzofuro[3,2-e]isochinolin-7(7aH)-on [German] [ACD/IUPAC Name]
(4aR,7aR)-9-Méthoxy-3-méthyl-2,3,4,4a,5,6-hexahydro-1H-[1]benzofuro[3,2-e]isoquinoléin-7(7aH)-one [French] [ACD/IUPAC Name]
(4aR,7aR)-9-Methoxy-3-methyl-2,3,4,4a,5,6-hexahydro-1H-[1]benzofuro[3,2-e]isoquinolin-7(7aH)-one [ACD/IUPAC Name]
(4aR,7aR)-9-methoxy-3-methyl-2,4,4a,5,6,7a-hexahydro-1H-benzofuro[3,2-e]isoquinolin-7-one
1H-Benzofuro[3,2-e]isoquinolin-7(7aH)-one, 2,3,4,4a,5,6-hexahydro-9-methoxy-3-methyl-, (4aR,7aR)- [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: 440.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.8±3.0 kJ/mol
Flash Point: 220.1±28.7 °C
Index of Refraction: 1.601
Molar Refractivity: 79.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.78
ACD/LogD (pH 5.5): -0.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.16
Polar Surface Area: 39 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 51.1±5.0 dyne/cm
Molar Volume: 230.6±5.0 cm3

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