ChemSpider 2D Image | Methyl 2-(2-phenylbicyclo[2.2.1]hept-2-yl)-4-(2-quinolinylmethoxy)benzoate | C31H29NO3

Methyl 2-(2-phenylbicyclo[2.2.1]hept-2-yl)-4-(2-quinolinylmethoxy)benzoate

  • Molecular FormulaC31H29NO3
  • Average mass463.567 Da
  • Monoisotopic mass463.214752 Da
  • ChemSpider ID23313943

More details:

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

2-(2-Phénylbicyclo[2.2.1]hept-2-yl)-4-(2-quinoléinylméthoxy)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-(2-phenylbicyclo[2.2.1]hept-2-yl)-4-(2-quinolinylmethoxy)-, methyl ester [ACD/Index Name]
Methyl 2-(2-phenylbicyclo[2.2.1]hept-2-yl)-4-(2-quinolinylmethoxy)benzoate [ACD/IUPAC Name]
methyl 2-(2-phenylbicyclo[2.2.1]hept-2-yl)-4-(quinolin-2-ylmethoxy)benzoate
Methyl-4-(2-chinolinylmethoxy)-2-(2-phenylbicyclo[2.2.1]hept-2-yl)benzoat [German] [ACD/IUPAC Name]
CHEMBL254564
methyl 2-(2-phenylbicyclo[2.2.1]heptan-2-yl)-4-(quinolin-2-ylmethoxy)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: 633.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 336.7±31.5 °C
Index of Refraction: 1.642
Molar Refractivity: 138.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.43
ACD/LogD (pH 5.5): 6.65
ACD/BCF (pH 5.5): 66647.35
ACD/KOC (pH 5.5): 98201.34
ACD/LogD (pH 7.4): 6.66
ACD/BCF (pH 7.4): 67899.52
ACD/KOC (pH 7.4): 100046.34
Polar Surface Area: 48 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 381.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement