ChemSpider 2D Image | 5-[3-Ethoxy-4-(pentyloxy)phenyl]-3-hydroxy-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)carbonyl]-1-(4-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one | C33H36N2O6

5-[3-Ethoxy-4-(pentyloxy)phenyl]-3-hydroxy-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)carbonyl]-1-(4-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC33H36N2O6
  • Average mass556.649 Da
  • Monoisotopic mass556.257324 Da
  • ChemSpider ID21677468

More details:

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

2H-Pyrrol-2-one, 4-[(2,3-dihydro-2-methyl-5-benzofuranyl)carbonyl]-5-[3-ethoxy-4-(pentyloxy)phenyl]-1,5-dihydro-3-hydroxy-1-(4-pyridinylmethyl)- [ACD/Index Name]
5-[3-Ethoxy-4-(pentyloxy)phenyl]-3-hydroxy-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)carbonyl]-1-(4-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
5-[3-Ethoxy-4-(pentyloxy)phenyl]-3-hydroxy-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)carbonyl]-1-(4-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
5-[3-Éthoxy-4-(pentyloxy)phényl]-3-hydroxy-4-[(2-méthyl-2,3-dihydro-1-benzofuran-5-yl)carbonyl]-1-(4-pyridinylméthyl)-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
5-[3-ethoxy-4-(pentyloxy)phenyl]-3-hydroxy-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)carbonyl]-1-(pyridin-4-ylmethyl)-1,5-dihydro-2H-pyrrol-2-one
5-(3-ethoxy-4-(pentyloxy)phenyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(pyridin-4-ylmethyl)-1H-pyrrol-2(5H)-one
5-(3-Ethoxy-4-pentyloxy-phenyl)-3-hydroxy-4-(2-methyl-2,3-dihydro-benzofuran-5-carbonyl)-1-pyridin-4-ylmethyl-1,5-dihydro-pyrrol-2-one
5-(3-ethoxy-4-pentyloxyphenyl)-3-hydroxy-4-[(2-methyl(2,3-dihydrobenzo[b]furan-5-yl))carbonyl]-1-(4-pyridylmethyl)-3-pyrrolin-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: 754.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.3±3.0 kJ/mol
Flash Point: 410.1±32.9 °C
Index of Refraction: 1.612
Molar Refractivity: 155.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.16
ACD/LogD (pH 5.5): 4.00
ACD/BCF (pH 5.5): 329.51
ACD/KOC (pH 5.5): 999.51
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 8.48
ACD/KOC (pH 7.4): 25.71
Polar Surface Area: 98 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 54.7±3.0 dyne/cm
Molar Volume: 445.9±3.0 cm3

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