ChemSpider 2D Image | (3-Chlorophenyl)[(1S)-6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-2(1H)-isoquinolinyl]methanone | C26H26ClNO5

(3-Chlorophenyl)[(1S)-6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-2(1H)-isoquinolinyl]methanone

  • Molecular FormulaC26H26ClNO5
  • Average mass467.941 Da
  • Monoisotopic mass467.149963 Da
  • ChemSpider ID30814135

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3-Chlorophényl)[(1S)-6,7-diméthoxy-1-[(4-méthoxyphénoxy)méthyl]-3,4-dihydro-2(1H)-isoquinoléinyl]méthanone [French] [ACD/IUPAC Name]
(3-Chlorophenyl)[(1S)-6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-2(1H)-isoquinolinyl]methanone [ACD/IUPAC Name]
(3-Chlorphenyl)[(1S)-6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-2(1H)-isochinolinyl]methanon [German] [ACD/IUPAC Name]
Methanone, (3-chlorophenyl)[(1S)-3,4-dihydro-6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-2(1H)-isoquinolinyl]- [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: 635.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.9±3.0 kJ/mol
Flash Point: 338.3±31.5 °C
Index of Refraction: 1.590
Molar Refractivity: 127.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.56
ACD/LogD (pH 5.5): 5.04
ACD/BCF (pH 5.5): 4003.94
ACD/KOC (pH 5.5): 13190.29
ACD/LogD (pH 7.4): 5.04
ACD/BCF (pH 7.4): 4003.94
ACD/KOC (pH 7.4): 13190.29
Polar Surface Area: 57 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 377.8±3.0 cm3

Click to predict properties on the Chemicalize site


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