ChemSpider 2D Image | 3-(4-Chlorophenyl)-2-phenyl-1-{2-[2-(1-pyrrolidinyl)ethoxy]phenyl}-1-butanone | C28H30ClNO2

3-(4-Chlorophenyl)-2-phenyl-1-{2-[2-(1-pyrrolidinyl)ethoxy]phenyl}-1-butanone

  • Molecular FormulaC28H30ClNO2
  • Average mass447.996 Da
  • Monoisotopic mass447.196503 Da
  • ChemSpider ID26504833

More details:

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

1-Butanone, 3-(4-chlorophenyl)-2-phenyl-1-[2-[2-(1-pyrrolidinyl)ethoxy]phenyl]- [ACD/Index Name]
3-(4-Chlorophenyl)-2-phenyl-1-{2-[2-(1-pyrrolidinyl)ethoxy]phenyl}-1-butanone [ACD/IUPAC Name]
3-(4-Chlorophényl)-2-phényl-1-{2-[2-(1-pyrrolidinyl)éthoxy]phényl}-1-butanone [French] [ACD/IUPAC Name]
3-(4-Chlorphenyl)-2-phenyl-1-{2-[2-(1-pyrrolidinyl)ethoxy]phenyl}-1-butanon [German] [ACD/IUPAC Name]
(2r,3r)-3-(4-chlorophenyl)-2-phenyl-1-{2-[2-(pyrrolidin-1-yl)ethoxy]phenyl}butan-1-one
37642-65-2 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 579.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.7±3.0 kJ/mol
Flash Point: 304.3±30.1 °C
Index of Refraction: 1.594
Molar Refractivity: 130.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.86
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 35.61
ACD/KOC (pH 5.5): 60.93
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 326.93
ACD/KOC (pH 7.4): 559.48
Polar Surface Area: 30 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 385.1±3.0 cm3

Click to predict properties on the Chemicalize site


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