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

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

  • Molecular FormulaC34H37NO6
  • Average mass555.661 Da
  • Monoisotopic mass555.262085 Da
  • ChemSpider ID34821342

More details:

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

4-({3-Hydroxy-4-[4-méthoxy-3-(2-méthyl-2-propanyl)benzoyl]-5-(3-méthylphényl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl}méthyl)benzoate d'isopropyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[3-[3-(1,1-dimethylethyl)-4-methoxybenzoyl]-2,5-dihydro-4-hydroxy-2-(3-methylphenyl)-5-oxo-1H-pyrrol-1-yl]methyl]-, 1-methylethyl ester [ACD/Index Name]
Isopropyl 4-({3-hydroxy-4-[4-methoxy-3-(2-methyl-2-propanyl)benzoyl]-5-(3-methylphenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl}methyl)benzoate [ACD/IUPAC Name]
Isopropyl-4-({3-hydroxy-4-[4-methoxy-3-(2-methyl-2-propanyl)benzoyl]-5-(3-methylphenyl)-2-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: 735.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.6±3.0 kJ/mol
Flash Point: 398.3±32.9 °C
Index of Refraction: 1.600
Molar Refractivity: 157.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.76
ACD/LogD (pH 5.5): 5.25
ACD/BCF (pH 5.5): 3253.52
ACD/KOC (pH 5.5): 5756.41
ACD/LogD (pH 7.4): 3.49
ACD/BCF (pH 7.4): 56.12
ACD/KOC (pH 7.4): 99.30
Polar Surface Area: 93 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 50.6±3.0 dyne/cm
Molar Volume: 460.3±3.0 cm3

Click to predict properties on the Chemicalize site


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