ChemSpider 2D Image | 2-Phenylethyl 4-(4-acetoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate | C33H31NO5

2-Phenylethyl 4-(4-acetoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

  • Molecular FormulaC33H31NO5
  • Average mass521.603 Da
  • Monoisotopic mass521.220215 Da
  • ChemSpider ID2138778

More details:

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

2-Phenylethyl 4-(4-acetoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate [ACD/IUPAC Name]
2-Phenylethyl 4-(4-acetoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-Phenylethyl-4-(4-acetoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-chinolincarboxylat [German] [ACD/IUPAC Name]
3-Quinolinecarboxylic acid, 4-[4-(acetyloxy)phenyl]-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-7-phenyl-, 2-phenylethyl ester [ACD/Index Name]
4-(4-Acétoxyphényl)-2-méthyl-5-oxo-7-phényl-1,4,5,6,7,8-hexahydro-3-quinoléinecarboxylate de 2-phényléthyle [French] [ACD/IUPAC Name]
2-phenylethyl 4-[4-(acetyloxy)phenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
2-phenylethyl 4-[4-(acetyloxy)phenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
4-(4-Acetoxy-phenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid phenethyl ester
5707-54-0 [RN]
ST50722407

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

Density: 1.3±0.1 g/cm3
Boiling Point: 693.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 373.0±31.5 °C
Index of Refraction: 1.637
Molar Refractivity: 147.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.84
ACD/LogD (pH 5.5): 5.62
ACD/BCF (pH 5.5): 11035.58
ACD/KOC (pH 5.5): 27253.27
ACD/LogD (pH 7.4): 5.62
ACD/BCF (pH 7.4): 11035.87
ACD/KOC (pH 7.4): 27253.99
Polar Surface Area: 82 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 56.9±5.0 dyne/cm
Molar Volume: 412.2±5.0 cm3

Click to predict properties on the Chemicalize site


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