ChemSpider 2D Image | 2-(4-Chlorophenyl)-7-{[8-(1-pyrrolidinyl)octyl]oxy}-4H-chromen-4-one | C27H32ClNO3

2-(4-Chlorophenyl)-7-{[8-(1-pyrrolidinyl)octyl]oxy}-4H-chromen-4-one

  • Molecular FormulaC27H32ClNO3
  • Average mass454.001 Da
  • Monoisotopic mass453.207062 Da
  • ChemSpider ID58868932

More details:

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

2-(4-Chlorophenyl)-7-{[8-(1-pyrrolidinyl)octyl]oxy}-4H-chromen-4-one [ACD/IUPAC Name]
2-(4-Chlorophényl)-7-{[8-(1-pyrrolidinyl)octyl]oxy}-4H-chromén-4-one [French] [ACD/IUPAC Name]
2-(4-Chlorphenyl)-7-{[8-(1-pyrrolidinyl)octyl]oxy}-4H-chromen-4-on [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(4-chlorophenyl)-7-[[8-(1-pyrrolidinyl)octyl]oxy]- [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: 597.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 314.9±30.1 °C
Index of Refraction: 1.578
Molar Refractivity: 128.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 7.05
ACD/LogD (pH 5.5): 3.36
ACD/BCF (pH 5.5): 38.04
ACD/KOC (pH 5.5): 62.08
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 69.24
ACD/KOC (pH 7.4): 113.00
Polar Surface Area: 39 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 386.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement