ChemSpider 2D Image | 1-Benzyl-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylene]-2,3-pyrrolidinedione | C34H37NO6

1-Benzyl-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylene]-2,3-pyrrolidinedione

  • Molecular FormulaC34H37NO6
  • Average mass555.661 Da
  • Monoisotopic mass555.262085 Da
  • ChemSpider ID2667154

More details:

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

1-Benzyl-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylen]-2,3-pyrrolidindion [German] [ACD/IUPAC Name]
1-Benzyl-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylene]-2,3-pyrrolidinedione [ACD/IUPAC Name]
1-Benzyl-5-[3-éthoxy-4-(3-méthylbutoxy)phényl]-4-[hydroxy(2-méthyl-2,3-dihydro-1-benzofuran-5-yl)méthylène]-2,3-pyrrolidinedione [French] [ACD/IUPAC Name]
2,3-Pyrrolidinedione, 4-[(2,3-dihydro-2-methyl-5-benzofuranyl)hydroxymethylene]-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1-(phenylmethyl)- [ACD/Index 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: 706.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.5±3.0 kJ/mol
Flash Point: 380.9±35.7 °C
Index of Refraction: 1.607
Molar Refractivity: 157.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.54
ACD/LogD (pH 5.5): 5.51
ACD/BCF (pH 5.5): 9080.52
ACD/KOC (pH 5.5): 23676.77
ACD/LogD (pH 7.4): 5.39
ACD/BCF (pH 7.4): 6950.33
ACD/KOC (pH 7.4): 18122.43
Polar Surface Area: 85 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 454.9±3.0 cm3

Click to predict properties on the Chemicalize site


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