ChemSpider 2D Image | 5-(4-Chlorophenyl)-3-hydroxy-4-(4-isobutoxy-3-methylbenzoyl)-1-(2-methoxyethyl)-1,5-dihydro-2H-pyrrol-2-one | C25H28ClNO5

5-(4-Chlorophenyl)-3-hydroxy-4-(4-isobutoxy-3-methylbenzoyl)-1-(2-methoxyethyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC25H28ClNO5
  • Average mass457.947 Da
  • Monoisotopic mass457.165588 Da
  • ChemSpider ID21623036

More details:

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

2H-Pyrrol-2-one, 5-(4-chlorophenyl)-1,5-dihydro-3-hydroxy-1-(2-methoxyethyl)-4-[3-methyl-4-(2-methylpropoxy)benzoyl]- [ACD/Index Name]
5-(4-Chlorophenyl)-3-hydroxy-4-(4-isobutoxy-3-methylbenzoyl)-1-(2-methoxyethyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
5-(4-Chlorophényl)-3-hydroxy-4-(4-isobutoxy-3-méthylbenzoyl)-1-(2-méthoxyéthyl)-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
5-(4-Chlorphenyl)-3-hydroxy-4-(4-isobutoxy-3-methylbenzoyl)-1-(2-methoxyethyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
5-(4-chlorophenyl)-3-hydroxy-1-(2-methoxyethyl)-4-[3-methyl-4-(2-methylpropoxy)benzoyl]-2,5-dihydro-1H-pyrrol-2-one
5-(4-CHLOROPHENYL)-3-HYDROXY-1-(2-METHOXYETHYL)-4-[3-METHYL-4-(2-METHYLPROPOXY)BENZOYL]-5H-PYRROL-2-ONE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 634.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.5±3.0 kJ/mol
Flash Point: 337.3±31.5 °C
Index of Refraction: 1.589
Molar Refractivity: 123.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.44
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 145.71
ACD/KOC (pH 5.5): 623.24
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 2.51
ACD/KOC (pH 7.4): 10.75
Polar Surface Area: 76 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 366.3±3.0 cm3

Click to predict properties on the Chemicalize site


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