ChemSpider 2D Image | (2s)-Tert-Butoxy[4-(3,4-Dimethylphenyl)-2-Methylquinolin-3-Yl]ethanoic Acid | C24H27NO3

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

  • Molecular FormulaC24H27NO3
  • Average mass377.476 Da
  • Monoisotopic mass377.199097 Da
  • ChemSpider ID34540117
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-[4-(3,4-Dimethylphenyl)-2-methyl-3-chinolinyl][(2-methyl-2-propanyl)oxy]essigsäure [German] [ACD/IUPAC Name]
(2S)-[4-(3,4-Dimethylphenyl)-2-methyl-3-quinolinyl][(2-methyl-2-propanyl)oxy]acetic acid [ACD/IUPAC Name]
(2s)-Tert-Butoxy[4-(3,4-Dimethylphenyl)-2-Methylquinolin-3-Yl]ethanoic Acid
3-Quinolineacetic acid, α-(1,1-dimethylethoxy)-4-(3,4-dimethylphenyl)-2-methyl-, (αS)- [ACD/Index Name]
Acide (2S)-[4-(3,4-diméthylphényl)-2-méthyl-3-quinoléinyl][(2-méthyl-2-propanyl)oxy]acétique [French] [ACD/IUPAC Name]
TQ2

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

Density: 1.1±0.1 g/cm3
Boiling Point: 535.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.4±3.0 kJ/mol
Flash Point: 277.4±30.1 °C
Index of Refraction: 1.595
Molar Refractivity: 112.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.63
ACD/LogD (pH 5.5): 3.12
ACD/BCF (pH 5.5): 33.15
ACD/KOC (pH 5.5): 79.02
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 3.75
ACD/KOC (pH 7.4): 8.94
Polar Surface Area: 59 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 331.5±3.0 cm3

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