ChemSpider 2D Image | Ethyl 4-({3-[4-ethoxy-3-(2-methyl-2-propanyl)benzoyl]-4-hydroxy-2-(3-methylphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}methyl)benzoate | C34H37NO6

Ethyl 4-({3-[4-ethoxy-3-(2-methyl-2-propanyl)benzoyl]-4-hydroxy-2-(3-methylphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}methyl)benzoate

  • Molecular FormulaC34H37NO6
  • Average mass555.661 Da
  • Monoisotopic mass555.262085 Da
  • ChemSpider ID34821246

More details:

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

4-({3-[4-Éthoxy-3-(2-méthyl-2-propanyl)benzoyl]-4-hydroxy-2-(3-méthylphényl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}méthyl)benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[3-[3-(1,1-dimethylethyl)-4-ethoxybenzoyl]-2,5-dihydro-4-hydroxy-2-(3-methylphenyl)-5-oxo-1H-pyrrol-1-yl]methyl]-, ethyl ester [ACD/Index Name]
Ethyl 4-({3-[4-ethoxy-3-(2-methyl-2-propanyl)benzoyl]-4-hydroxy-2-(3-methylphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}methyl)benzoate [ACD/IUPAC Name]
Ethyl-4-({3-[4-ethoxy-3-(2-methyl-2-propanyl)benzoyl]-4-hydroxy-2-(3-methylphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}methyl)benzoat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 739.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.2±3.0 kJ/mol
Flash Point: 400.9±32.9 °C
Index of Refraction: 1.601
Molar Refractivity: 157.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.95
ACD/LogD (pH 5.5): 5.41
ACD/BCF (pH 5.5): 4286.91
ACD/KOC (pH 5.5): 7012.89
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 73.95
ACD/KOC (pH 7.4): 120.97
Polar Surface Area: 93 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 459.9±3.0 cm3

Click to predict properties on the Chemicalize site


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