ChemSpider 2D Image | 4-(4-Chloro-3,5-dimethylphenoxy)-1-[1-(3-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl]-1-butanone | C29H31ClFNO4

4-(4-Chloro-3,5-dimethylphenoxy)-1-[1-(3-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl]-1-butanone

  • Molecular FormulaC29H31ClFNO4
  • Average mass512.012 Da
  • Monoisotopic mass511.192566 Da
  • ChemSpider ID121300802

More details:

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

1-Butanone, 4-(4-chloro-3,5-dimethylphenoxy)-1-[1-(3-fluorophenyl)-3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl]- [ACD/Index Name]
4-(4-Chlor-3,5-dimethylphenoxy)-1-[1-(3-fluorphenyl)-6,7-dimethoxy-3,4-dihydro-2(1H)-isochinolinyl]-1-butanon [German] [ACD/IUPAC Name]
4-(4-Chloro-3,5-diméthylphénoxy)-1-[1-(3-fluorophényl)-6,7-diméthoxy-3,4-dihydro-2(1H)-isoquinoléinyl]-1-butanone [French] [ACD/IUPAC Name]
4-(4-Chloro-3,5-dimethylphenoxy)-1-[1-(3-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl]-1-butanone [ACD/IUPAC 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: 659.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.0±3.0 kJ/mol
Flash Point: 352.5±31.5 °C
Index of Refraction: 1.575
Molar Refractivity: 139.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.71
ACD/LogD (pH 5.5): 6.37
ACD/BCF (pH 5.5): 40709.83
ACD/KOC (pH 5.5): 69375.41
ACD/LogD (pH 7.4): 6.37
ACD/BCF (pH 7.4): 40709.83
ACD/KOC (pH 7.4): 69375.41
Polar Surface Area: 48 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 420.9±3.0 cm3

Click to predict properties on the Chemicalize site


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