ChemSpider 2D Image | 4-[4-(Benzyloxy)-3-methylbenzoyl]-3-hydroxy-1-(3-isopropoxypropyl)-5-(3-methyl-2-thienyl)-1,5-dihydro-2H-pyrrol-2-one | C30H33NO5S

4-[4-(Benzyloxy)-3-methylbenzoyl]-3-hydroxy-1-(3-isopropoxypropyl)-5-(3-methyl-2-thienyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC30H33NO5S
  • Average mass519.652 Da
  • Monoisotopic mass519.207947 Da
  • ChemSpider ID34854958

More details:

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

2H-Pyrrol-2-one, 1,5-dihydro-3-hydroxy-1-[3-(1-methylethoxy)propyl]-4-[3-methyl-4-(phenylmethoxy)benzoyl]-5-(3-methyl-2-thienyl)- [ACD/Index Name]
4-[4-(Benzyloxy)-3-methylbenzoyl]-3-hydroxy-1-(3-isopropoxypropyl)-5-(3-methyl-2-thienyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
4-[4-(Benzyloxy)-3-methylbenzoyl]-3-hydroxy-1-(3-isopropoxypropyl)-5-(3-methyl-2-thienyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
4-[4-(Benzyloxy)-3-méthylbenzoyl]-3-hydroxy-1-(3-isopropoxypropyl)-5-(3-méthyl-2-thiényl)-1,5-dihydro-2H-pyrrol-2-one [French] [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: 709.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.0±3.0 kJ/mol
Flash Point: 382.9±32.9 °C
Index of Refraction: 1.611
Molar Refractivity: 146.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.23
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 338.56
ACD/KOC (pH 5.5): 1139.55
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 5.84
ACD/KOC (pH 7.4): 19.66
Polar Surface Area: 104 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 420.8±3.0 cm3

Click to predict properties on the Chemicalize site


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