ChemSpider 2D Image | 2-Phenoxyethyl 4-(3-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate | C32H31NO6

2-Phenoxyethyl 4-(3-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

  • Molecular FormulaC32H31NO6
  • Average mass525.592 Da
  • Monoisotopic mass525.215149 Da
  • ChemSpider ID2138697

More details:

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

2-Phenoxyethyl 4-(3-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate [ACD/IUPAC Name]
2-Phenoxyethyl-4-(3-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-chinolincarboxylat [German] [ACD/IUPAC Name]
3-Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-4-(3-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-, 2-phenoxyethyl ester [ACD/Index Name]
4-(3-Hydroxyphényl)-7-(4-méthoxyphényl)-2-méthyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinoléinecarboxylate de 2-phénoxyéthyle [French] [ACD/IUPAC Name]
2-phenoxyethyl 4-(3-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-phenoxyethyl 4-(3-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,6,7,8-pentahydroquinoline-3-carboxylate
2-PHENOXYETHYL 4-(3-HYDROXYPHENYL)-7-(4-METHOXYPHENYL)-2-METHYL-5-OXO-4,6,7,8-TETRAHYDRO-1H-QUINOLINE-3-CARBOXYLATE
4-(3-Hydroxy-phenyl)-7-(4-methoxy-phenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid 2-phenoxy-ethyl ester

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

A2040/0085725 [DBID]
BAS 01404026 [DBID]
ChemDiv1_002635 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 726.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.8±3.0 kJ/mol
Flash Point: 393.0±32.9 °C
Index of Refraction: 1.649
Molar Refractivity: 146.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.40
ACD/LogD (pH 5.5): 5.07
ACD/BCF (pH 5.5): 4193.15
ACD/KOC (pH 5.5): 13633.12
ACD/LogD (pH 7.4): 5.07
ACD/BCF (pH 7.4): 4171.36
ACD/KOC (pH 7.4): 13562.28
Polar Surface Area: 94 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 60.8±5.0 dyne/cm
Molar Volume: 402.0±5.0 cm3

Click to predict properties on the Chemicalize site


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