ChemSpider 2D Image | 9-{3-Chloro-5-ethoxy-4-[(3-methylbenzyl)oxy]phenyl}-3,3,6,6,10-pentamethyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione | C34H40ClNO4

9-{3-Chloro-5-ethoxy-4-[(3-methylbenzyl)oxy]phenyl}-3,3,6,6,10-pentamethyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione

  • Molecular FormulaC34H40ClNO4
  • Average mass562.139 Da
  • Monoisotopic mass561.264587 Da
  • ChemSpider ID81282334

More details:

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

1,8(2H,5H)-Acridinedione, 9-[3-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-3,4,6,7,9,10-hexahydro-3,3,6,6,10-pentamethyl- [ACD/Index Name]
9-{3-Chlor-5-ethoxy-4-[(3-methylbenzyl)oxy]phenyl}-3,3,6,6,10-pentamethyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridindion [German] [ACD/IUPAC Name]
9-{3-Chloro-5-ethoxy-4-[(3-methylbenzyl)oxy]phenyl}-3,3,6,6,10-pentamethyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione [ACD/IUPAC Name]
9-{3-Chloro-5-éthoxy-4-[(3-méthylbenzyl)oxy]phényl}-3,3,6,6,10-pentaméthyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione [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: 667.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.1±3.0 kJ/mol
Flash Point: 357.4±31.5 °C
Index of Refraction: 1.606
Molar Refractivity: 158.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 7.08
ACD/LogD (pH 5.5): 7.19
ACD/BCF (pH 5.5): 170650.72
ACD/KOC (pH 5.5): 193507.95
ACD/LogD (pH 7.4): 7.19
ACD/BCF (pH 7.4): 170679.39
ACD/KOC (pH 7.4): 193540.47
Polar Surface Area: 56 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 51.3±5.0 dyne/cm
Molar Volume: 459.7±5.0 cm3

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