ChemSpider 2D Image | 3-Hydroxy-5-{4-[(2-methylbenzyl)oxy]phenyl}-4-(2-naphthoyl)-1-octyl-1,5-dihydro-2H-pyrrol-2-one | C37H39NO4

3-Hydroxy-5-{4-[(2-methylbenzyl)oxy]phenyl}-4-(2-naphthoyl)-1-octyl-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC37H39NO4
  • Average mass561.710 Da
  • Monoisotopic mass561.287903 Da
  • ChemSpider ID118233357

More details:






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

2H-Pyrrol-2-one, 1,5-dihydro-3-hydroxy-5-[4-[(2-methylphenyl)methoxy]phenyl]-4-(2-naphthalenylcarbonyl)-1-octyl- [ACD/Index Name]
3-Hydroxy-5-{4-[(2-methylbenzyl)oxy]phenyl}-4-(2-naphthoyl)-1-octyl-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
3-Hydroxy-5-{4-[(2-methylbenzyl)oxy]phenyl}-4-(2-naphthoyl)-1-octyl-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
3-Hydroxy-5-{4-[(2-méthylbenzyl)oxy]phényl}-4-(2-naphtoyl)-1-octyl-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: 746.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.1±3.0 kJ/mol
Flash Point: 405.0±32.9 °C
Index of Refraction: 1.626
Molar Refractivity: 168.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 9.69
ACD/LogD (pH 5.5): 7.80
ACD/BCF (pH 5.5): 278765.84
ACD/KOC (pH 5.5): 139216.77
ACD/LogD (pH 7.4): 6.03
ACD/BCF (pH 7.4): 4808.81
ACD/KOC (pH 7.4): 2401.54
Polar Surface Area: 67 Å2
Polarizability: 66.8±0.5 10-24cm3
Surface Tension: 51.9±3.0 dyne/cm
Molar Volume: 475.4±3.0 cm3

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