ChemSpider 2D Image | 2-{4-[(3R)-3-(2-Benzoyl-4-ethylphenoxy)butoxy]phenoxy}-2-methylpropanoic acid | C29H32O6

2-{4-[(3R)-3-(2-Benzoyl-4-ethylphenoxy)butoxy]phenoxy}-2-methylpropanoic acid

  • Molecular FormulaC29H32O6
  • Average mass476.561 Da
  • Monoisotopic mass476.219879 Da
  • ChemSpider ID28517447

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-{4-[(3R)-3-(2-Benzoyl-4-ethylphenoxy)butoxy]phenoxy}-2-methylpropanoic acid [ACD/IUPAC Name]
2-{4-[(3R)-3-(2-Benzoyl-4-ethylphenoxy)butoxy]phenoxy}-2-methylpropansäure [German] [ACD/IUPAC Name]
Acide 2-{4-[(3R)-3-(2-benzoyl-4-éthylphénoxy)butoxy]phénoxy}-2-méthylpropanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 2-[4-[(3R)-3-(2-benzoyl-4-ethylphenoxy)butoxy]phenoxy]-2-methyl- [ACD/Index 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: 659.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.0±3.0 kJ/mol
Flash Point: 215.6±25.0 °C
Index of Refraction: 1.568
Molar Refractivity: 134.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 6.49
ACD/LogD (pH 5.5): 3.87
ACD/BCF (pH 5.5): 156.01
ACD/KOC (pH 5.5): 313.82
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 5.97
ACD/KOC (pH 7.4): 12.00
Polar Surface Area: 82 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 410.9±3.0 cm3

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