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

Isopropyl 4-{[3-(4-ethoxy-3-isopropylbenzoyl)-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 ID34821336

More details:

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

4-{[3-(4-Éthoxy-3-isopropylbenzoyl)-4-hydroxy-2-(3-méthylphényl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]méthyl}benzoate d'isopropyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[3-[4-ethoxy-3-(1-methylethyl)benzoyl]-2,5-dihydro-4-hydroxy-2-(3-methylphenyl)-5-oxo-1H-pyrrol-1-yl]methyl]-, 1-methylethyl ester [ACD/Index Name]
Isopropyl 4-{[3-(4-ethoxy-3-isopropylbenzoyl)-4-hydroxy-2-(3-methylphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]methyl}benzoate [ACD/IUPAC Name]
Isopropyl-4-{[3-(4-ethoxy-3-isopropylbenzoyl)-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: 737.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.0±3.0 kJ/mol
Flash Point: 400.0±32.9 °C
Index of Refraction: 1.602
Molar Refractivity: 157.9±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): 5.51
ACD/BCF (pH 5.5): 5107.25
ACD/KOC (pH 5.5): 7949.28
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 88.10
ACD/KOC (pH 7.4): 137.13
Polar Surface Area: 93 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 460.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement