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

5-(4-Chlorophenyl)-4-(4-ethoxybenzoyl)-3-hydroxy-1-(3-isopropoxypropyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC25H28ClNO5
  • Average mass457.947 Da
  • Monoisotopic mass457.165588 Da
  • ChemSpider ID28634747

More details:

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

2H-Pyrrol-2-one, 5-(4-chlorophenyl)-4-(4-ethoxybenzoyl)-1,5-dihydro-3-hydroxy-1-[3-(1-methylethoxy)propyl]- [ACD/Index Name]
5-(4-Chlorophenyl)-4-(4-ethoxybenzoyl)-3-hydroxy-1-(3-isopropoxypropyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
5-(4-Chlorophényl)-4-(4-éthoxybenzoyl)-3-hydroxy-1-(3-isopropoxypropyl)-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
5-(4-Chlorphenyl)-4-(4-ethoxybenzoyl)-3-hydroxy-1-(3-isopropoxypropyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
5-(4-CHLOROPHENYL)-4-(4-ETHOXYBENZOYL)-3-HYDROXY-1-(3-ISOPROPOXYPROPYL)-5H-PYRROL-2-ONE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 631.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.1±3.0 kJ/mol
Flash Point: 335.4±31.5 °C
Index of Refraction: 1.587
Molar Refractivity: 123.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.10
ACD/LogD (pH 5.5): 3.06
ACD/BCF (pH 5.5): 69.82
ACD/KOC (pH 5.5): 368.11
ACD/LogD (pH 7.4): 1.29
ACD/BCF (pH 7.4): 1.21
ACD/KOC (pH 7.4): 6.35
Polar Surface Area: 76 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 366.5±3.0 cm3

Click to predict properties on the Chemicalize site


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