ChemSpider 2D Image | (2s)-Tert-Butoxy[4-(4-Chlorophenyl)-2-Methylquinolin-3-Yl]ethanoic Acid | C22H22ClNO3

(2s)-Tert-Butoxy[4-(4-Chlorophenyl)-2-Methylquinolin-3-Yl]ethanoic Acid

  • Molecular FormulaC22H22ClNO3
  • Average mass383.868 Da
  • Monoisotopic mass383.128815 Da
  • ChemSpider ID34251326
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-[4-(4-Chlorophenyl)-2-methyl-3-quinolinyl][(2-methyl-2-propanyl)oxy]acetic acid [ACD/IUPAC Name]
(2S)-[4-(4-Chlorphenyl)-2-methyl-3-chinolinyl][(2-methyl-2-propanyl)oxy]essigsäure [German] [ACD/IUPAC Name]
(2s)-Tert-Butoxy[4-(4-Chlorophenyl)-2-Methylquinolin-3-Yl]ethanoic Acid
3-Quinolineacetic acid, 4-(4-chlorophenyl)-α-(1,1-dimethylethoxy)-2-methyl-, (αS)- [ACD/Index Name]
Acide (2S)-[4-(4-chlorophényl)-2-méthyl-3-quinoléinyl][(2-méthyl-2-propanyl)oxy]acétique [French] [ACD/IUPAC Name]
4BI

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 537.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.8±3.0 kJ/mol
Flash Point: 279.1±30.1 °C
Index of Refraction: 1.610
Molar Refractivity: 107.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 3.00
ACD/BCF (pH 5.5): 26.28
ACD/KOC (pH 5.5): 65.04
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 2.86
ACD/KOC (pH 7.4): 7.07
Polar Surface Area: 59 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 310.9±3.0 cm3

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