ChemSpider 2D Image | CAY10599 | C38H41NO5

CAY10599

  • Molecular FormulaC38H41NO5
  • Average mass591.736 Da
  • Monoisotopic mass591.298462 Da
  • ChemSpider ID24713198

More details:

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

1143573-33-4 [RN]
2-[(1-{3-[4-(4-Biphenylylcarbonyl)-2-propylphenoxy]propyl}-1,2,3,4-tetrahydro-5-chinolinyl)oxy]-2-methylpropansäure [German] [ACD/IUPAC Name]
2-[(1-{3-[4-(4-Biphenylylcarbonyl)-2-propylphenoxy]propyl}-1,2,3,4-tetrahydro-5-quinolinyl)oxy]-2-methylpropanoic acid [ACD/IUPAC Name]
2-[(1-{3-[4-(biphenyl-4-ylcarbonyl)-2-propylphenoxy]propyl}-1,2,3,4-tetrahydroquinolin-5-yl)oxy]-2-methylpropanoic acid
Acide 2-[(1-{3-[4-(4-biphénylylcarbonyl)-2-propylphénoxy]propyl}-1,2,3,4-tétrahydro-5-quinoléinyl)oxy]-2-méthylpropanoïque [French] [ACD/IUPAC Name]
CAY10599
Propanoic acid, 2-[[1-[3-[4-([1,1'-biphenyl]-4-ylcarbonyl)-2-propylphenoxy]propyl]-1,2,3,4-tetrahydro-5-quinolinyl]oxy]-2-methyl- [ACD/Index Name]
2-((1-(3-(4-((1,1'-BIPHENYL)-4-YLCARBONYL)-2-PROPYLPHENOXY)PROPYL)-1,2,3,4-TETRAHYDRO-5-QUINOLINYL)OXY)-2-METHYL-PROPANOIC ACID
2-({1-[3-(4-{[1,1'-biphenyl]-4-carbonyl}-2-propylphenoxy)propyl]-1,2,3,4-tetrahydroquinolin-5-yl}oxy)-2-methylpropanoic acid
2-({1-[3-(4-{[1,1'-biphenyl]-4-carbonyl}-2-propylphenoxy)propyl]-3,4-dihydro-2H-quinolin-5-yl}oxy)-2-methylpropanoic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 789.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.4±3.0 kJ/mol
Flash Point: 431.0±32.9 °C
Index of Refraction: 1.592
Molar Refractivity: 172.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 8.90
ACD/LogD (pH 5.5): 5.84
ACD/BCF (pH 5.5): 4992.27
ACD/KOC (pH 5.5): 3815.46
ACD/LogD (pH 7.4): 4.50
ACD/BCF (pH 7.4): 225.07
ACD/KOC (pH 7.4): 172.01
Polar Surface Area: 76 Å2
Polarizability: 68.5±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 510.7±3.0 cm3

Click to predict properties on the Chemicalize site


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