ChemSpider 2D Image | 5-(3-Chloro-4-methylphenyl)-3-(2,4-dimethoxy-3-methylphenyl)-1-(4-hydroxybenzyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid | C30H29ClN2O7

5-(3-Chloro-4-methylphenyl)-3-(2,4-dimethoxy-3-methylphenyl)-1-(4-hydroxybenzyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid

  • Molecular FormulaC30H29ClN2O7
  • Average mass565.013 Da
  • Monoisotopic mass564.166321 Da
  • ChemSpider ID4175316

More details:

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

5-(3-Chlor-4-methylphenyl)-3-(2,4-dimethoxy-3-methylphenyl)-1-(4-hydroxybenzyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrol-1-carbonsäure [German] [ACD/IUPAC Name]
5-(3-Chloro-4-methylphenyl)-3-(2,4-dimethoxy-3-methylphenyl)-1-(4-hydroxybenzyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid [ACD/IUPAC Name]
Acide 5-(3-chloro-4-méthylphényl)-3-(2,4-diméthoxy-3-méthylphényl)-1-(4-hydroxybenzyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylique [French] [ACD/IUPAC Name]
Pyrrolo[3,4-c]pyrrole-1-carboxylic acid, 5-(3-chloro-4-methylphenyl)-3-(2,4-dimethoxy-3-methylphenyl)octahydro-1-[(4-hydroxyphenyl)methyl]-4,6-dioxo- [ACD/Index 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: 828.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.3±3.0 kJ/mol
Flash Point: 455.1±34.3 °C
Index of Refraction: 1.632
Molar Refractivity: 146.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.88
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 8.64
ACD/KOC (pH 5.5): 31.89
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 5.88
ACD/KOC (pH 7.4): 21.71
Polar Surface Area: 125 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 58.2±3.0 dyne/cm
Molar Volume: 411.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement