ChemSpider 2D Image | 1-(Adamantan-1-yl)-4-(4-ethylbenzoyl)-3-hydroxy-5-{4-[(2-methylbenzyl)oxy]phenyl}-1,5-dihydro-2H-pyrrol-2-one | C37H39NO4

1-(Adamantan-1-yl)-4-(4-ethylbenzoyl)-3-hydroxy-5-{4-[(2-methylbenzyl)oxy]phenyl}-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC37H39NO4
  • Average mass561.710 Da
  • Monoisotopic mass561.287903 Da
  • ChemSpider ID119055272

More details:

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

1-(Adamantan-1-yl)-4-(4-ethylbenzoyl)-3-hydroxy-5-{4-[(2-methylbenzyl)oxy]phenyl}-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
1-(Adamantan-1-yl)-4-(4-ethylbenzoyl)-3-hydroxy-5-{4-[(2-methylbenzyl)oxy]phenyl}-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
1-(Adamantan-1-yl)-4-(4-éthylbenzoyl)-3-hydroxy-5-{4-[(2-méthylbenzyl)oxy]phényl}-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
2H-Pyrrol-2-one, 4-(4-ethylbenzoyl)-1,5-dihydro-3-hydroxy-5-[4-[(2-methylphenyl)methoxy]phenyl]-1-tricyclo[3.3.1.13,7]dec-1-yl- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 742.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.6±3.0 kJ/mol
Flash Point: 402.6±32.9 °C
Index of Refraction: 1.653
Molar Refractivity: 163.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 8.61
ACD/LogD (pH 5.5): 6.17
ACD/BCF (pH 5.5): 16109.72
ACD/KOC (pH 5.5): 18089.88
ACD/LogD (pH 7.4): 4.40
ACD/BCF (pH 7.4): 277.90
ACD/KOC (pH 7.4): 312.06
Polar Surface Area: 67 Å2
Polarizability: 64.7±0.5 10-24cm3
Surface Tension: 58.5±3.0 dyne/cm
Molar Volume: 445.4±3.0 cm3

Click to predict properties on the Chemicalize site


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