ChemSpider 2D Image | 5-(3,5-Dichloro-4-hydroxyphenyl)-1-[4-(hexyloxy)phenyl]-3-hydroxy-4-(2-thienyl)-1,5-dihydro-2H-pyrrol-2-one | C26H25Cl2NO4S

5-(3,5-Dichloro-4-hydroxyphenyl)-1-[4-(hexyloxy)phenyl]-3-hydroxy-4-(2-thienyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC26H25Cl2NO4S
  • Average mass518.452 Da
  • Monoisotopic mass517.088135 Da
  • ChemSpider ID60092738

More details:

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

2H-Pyrrol-2-one, 5-(3,5-dichloro-4-hydroxyphenyl)-1-[4-(hexyloxy)phenyl]-1,5-dihydro-3-hydroxy-4-(2-thienyl)- [ACD/Index Name]
5-(3,5-Dichlor-4-hydroxyphenyl)-1-[4-(hexyloxy)phenyl]-3-hydroxy-4-(2-thienyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
5-(3,5-Dichloro-4-hydroxyphenyl)-1-[4-(hexyloxy)phenyl]-3-hydroxy-4-(2-thienyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
5-(3,5-Dichloro-4-hydroxyphényl)-1-[4-(hexyloxy)phényl]-3-hydroxy-4-(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: 1.4±0.1 g/cm3
Boiling Point: 638.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 339.8±31.5 °C
Index of Refraction: 1.652
Molar Refractivity: 136.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.62
ACD/LogD (pH 5.5): 6.66
ACD/BCF (pH 5.5): 66233.01
ACD/KOC (pH 5.5): 96585.71
ACD/LogD (pH 7.4): 5.89
ACD/BCF (pH 7.4): 11519.99
ACD/KOC (pH 7.4): 16799.27
Polar Surface Area: 98 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 60.6±3.0 dyne/cm
Molar Volume: 373.4±3.0 cm3

Click to predict properties on the Chemicalize site


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