ChemSpider 2D Image | 5-{4-[(4-Chlorobenzyl)oxy]-3-methoxyphenyl}-1-decyl-3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-1,5-dihydro-2H-pyrrol-2-one | C37H44ClNO6

5-{4-[(4-Chlorobenzyl)oxy]-3-methoxyphenyl}-1-decyl-3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC37H44ClNO6
  • Average mass634.201 Da
  • Monoisotopic mass633.285706 Da
  • ChemSpider ID117932314

More details:






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

2H-Pyrrol-2-one, 5-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-1-decyl-1,5-dihydro-3-hydroxy-4-(4-methoxy-3-methylbenzoyl)- [ACD/Index Name]
5-{4-[(4-Chlorbenzyl)oxy]-3-methoxyphenyl}-1-decyl-3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
5-{4-[(4-Chlorobenzyl)oxy]-3-methoxyphenyl}-1-decyl-3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
5-{4-[(4-Chlorobenzyl)oxy]-3-méthoxyphényl}-1-décyl-3-hydroxy-4-(4-méthoxy-3-méthylbenzoyl)-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: 764.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.9±3.0 kJ/mol
Flash Point: 416.4±32.9 °C
Index of Refraction: 1.581
Molar Refractivity: 178.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 10.10
ACD/LogD (pH 5.5): 8.29
ACD/BCF (pH 5.5): 664775.13
ACD/KOC (pH 5.5): 259331.67
ACD/LogD (pH 7.4): 6.53
ACD/BCF (pH 7.4): 11467.60
ACD/KOC (pH 7.4): 4473.56
Polar Surface Area: 85 Å2
Polarizability: 70.6±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 534.3±3.0 cm3

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