ChemSpider 2D Image | 3-(3,5-Dichloro-2-hydroxy-6-methoxy-4-methylphenyl)-5,7-dihydroxy-4-(3-methyl-2-buten-1-yl)-1-isoindolinone | C21H21Cl2NO5

3-(3,5-Dichloro-2-hydroxy-6-methoxy-4-methylphenyl)-5,7-dihydroxy-4-(3-methyl-2-buten-1-yl)-1-isoindolinone

  • Molecular FormulaC21H21Cl2NO5
  • Average mass438.301 Da
  • Monoisotopic mass437.079681 Da
  • ChemSpider ID23330911

More details:

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

1H-Isoindol-1-one, 3-(3,5-dichloro-2-hydroxy-6-methoxy-4-methylphenyl)-2,3-dihydro-5,7-dihydroxy-4-(3-methyl-2-buten-1-yl)- [ACD/Index Name]
3-(3,5-Dichlor-2-hydroxy-6-methoxy-4-methylphenyl)-5,7-dihydroxy-4-(3-methyl-2-buten-1-yl)-1-isoindolinon [German] [ACD/IUPAC Name]
3-(3,5-Dichloro-2-hydroxy-6-methoxy-4-methylphenyl)-5,7-dihydroxy-4-(3-methyl-2-buten-1-yl)-1-isoindolinone [ACD/IUPAC Name]
3-(3,5-Dichloro-2-hydroxy-6-méthoxy-4-méthylphényl)-5,7-dihydroxy-4-(3-méthyl-2-butén-1-yl)-1-isoindolinone [French] [ACD/IUPAC Name]
3-(3,5-dichloro-2-hydroxy-6-methoxy-4-methylphenyl)-5,7-dihydroxy-4-(3-methylbut-2-en-1-yl)-2,3-dihydro-1H-isoindol-1-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL470091/
Pestalachloride A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 613.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.3±3.0 kJ/mol
Flash Point: 324.5±31.5 °C
Index of Refraction: 1.641
Molar Refractivity: 112.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 5.08
ACD/BCF (pH 5.5): 4221.79
ACD/KOC (pH 5.5): 13613.50
ACD/LogD (pH 7.4): 4.58
ACD/BCF (pH 7.4): 1346.10
ACD/KOC (pH 7.4): 4340.60
Polar Surface Area: 99 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 58.0±3.0 dyne/cm
Molar Volume: 310.5±3.0 cm3

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