ChemSpider 2D Image | 3'-({[(2R)-2-Cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydro-1H-inden-5-yl]oxy}methyl)-4-biphenylcarboxylic acid | C30H30O4

3'-({[(2R)-2-Cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydro-1H-inden-5-yl]oxy}methyl)-4-biphenylcarboxylic acid

  • Molecular FormulaC30H30O4
  • Average mass454.557 Da
  • Monoisotopic mass454.214417 Da
  • ChemSpider ID32798952

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[1,1'-Biphenyl]-4-carboxylic acid, 3'-[[[(2R)-2-cyclopentyl-2,3-dihydro-6,7-dimethyl-1-oxo-1H-inden-5-yl]oxy]methyl]- [ACD/Index Name]
3'-({[(2R)-2-Cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydro-1H-inden-5-yl]oxy}methyl)-4-biphenylcarbonsäure [German] [ACD/IUPAC Name]
3'-({[(2R)-2-Cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydro-1H-inden-5-yl]oxy}methyl)-4-biphenylcarboxylic acid [ACD/IUPAC Name]
Acide 3'-({[(2R)-2-cyclopentyl-6,7-diméthyl-1-oxo-2,3-dihydro-1H-indén-5-yl]oxy}méthyl)-4-biphénylcarboxylique [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: 676.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.4±3.0 kJ/mol
Flash Point: 225.8±25.0 °C
Index of Refraction: 1.627
Molar Refractivity: 132.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 8.27
ACD/LogD (pH 5.5): 6.20
ACD/BCF (pH 5.5): 14569.06
ACD/KOC (pH 5.5): 13804.20
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 416.22
ACD/KOC (pH 7.4): 394.37
Polar Surface Area: 64 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 372.5±3.0 cm3

Click to predict properties on the Chemicalize site


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