ChemSpider 2D Image | Ethyl 4-{[6,7-dimethoxy-2-(2-phenoxypropanoyl)-1,2,3,4-tetrahydro-1-isoquinolinyl]methoxy}benzoate | C30H33NO7

Ethyl 4-{[6,7-dimethoxy-2-(2-phenoxypropanoyl)-1,2,3,4-tetrahydro-1-isoquinolinyl]methoxy}benzoate

  • Molecular FormulaC30H33NO7
  • Average mass519.586 Da
  • Monoisotopic mass519.225708 Da
  • ChemSpider ID3270777

More details:

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

4-{[6,7-Diméthoxy-2-(2-phénoxypropanoyl)-1,2,3,4-tétrahydro-1-isoquinoléinyl]méthoxy}benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[1,2,3,4-tetrahydro-6,7-dimethoxy-2-(1-oxo-2-phenoxypropyl)-1-isoquinolinyl]methoxy]-, ethyl ester [ACD/Index Name]
Ethyl 4-{[6,7-dimethoxy-2-(2-phenoxypropanoyl)-1,2,3,4-tetrahydro-1-isoquinolinyl]methoxy}benzoate [ACD/IUPAC Name]
Ethyl-4-{[6,7-dimethoxy-2-(2-phenoxypropanoyl)-1,2,3,4-tetrahydro-1-isochinolinyl]methoxy}benzoat [German] [ACD/IUPAC Name]
ethyl 4-((6,7-dimethoxy-2-(2-phenoxypropanoyl)-1,2,3,4-tetrahydroisoquinolin-1-yl)methoxy)benzoate
ethyl 4-{[6,7-dimethoxy-2-(2-phenoxypropanoyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 687.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.8±3.0 kJ/mol
Flash Point: 369.7±31.5 °C
Index of Refraction: 1.569
Molar Refractivity: 142.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.49
ACD/LogD (pH 5.5): 5.32
ACD/BCF (pH 5.5): 6499.95
ACD/KOC (pH 5.5): 18658.30
ACD/LogD (pH 7.4): 5.32
ACD/BCF (pH 7.4): 6499.95
ACD/KOC (pH 7.4): 18658.30
Polar Surface Area: 84 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 435.7±3.0 cm3

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