ChemSpider 2D Image | Ethyl 5-[(4-butoxybenzoyl)oxy]-2-methyl-1-phenyl-1H-benzo[g]indole-3-carboxylate | C33H31NO5

Ethyl 5-[(4-butoxybenzoyl)oxy]-2-methyl-1-phenyl-1H-benzo[g]indole-3-carboxylate

  • Molecular FormulaC33H31NO5
  • Average mass521.603 Da
  • Monoisotopic mass521.220215 Da
  • ChemSpider ID3880696

More details:

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

1H-Benz[g]indole-3-carboxylic acid, 5-[(4-butoxybenzoyl)oxy]-2-methyl-1-phenyl-, ethyl ester [ACD/Index Name]
5-[(4-Butoxybenzoyl)oxy]-2-méthyl-1-phényl-1H-benzo[g]indole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-[(4-butoxybenzoyl)oxy]-2-methyl-1-phenyl-1H-benzo[g]indole-3-carboxylate [ACD/IUPAC Name]
Ethyl-5-[(4-butoxybenzoyl)oxy]-2-methyl-1-phenyl-1H-benzo[g]indol-3-carboxylat [German] [ACD/IUPAC Name]
ETHYL 5-(4-BUTOXYBENZOYLOXY)-2-METHYL-1-PHENYL-1H-BENZO[G]INDOLE-3-CARBOXYLATE
ETHYL 5-(4-BUTOXYBENZOYLOXY)-2-METHYL-1-PHENYLBENZO[G]INDOLE-3-CARBOXYLATE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 648.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 345.7±31.5 °C
Index of Refraction: 1.599
Molar Refractivity: 151.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 10.09
ACD/LogD (pH 5.5): 7.75
ACD/BCF (pH 5.5): 460452.28
ACD/KOC (pH 5.5): 393803.63
ACD/LogD (pH 7.4): 7.75
ACD/BCF (pH 7.4): 460452.28
ACD/KOC (pH 7.4): 393803.63
Polar Surface Area: 67 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 43.2±7.0 dyne/cm
Molar Volume: 442.7±7.0 cm3

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