ChemSpider 2D Image | 4-[(2R)-2-{[4-(4-Chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid | C21H24ClNO4

4-[(2R)-2-{[4-(4-Chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid

  • Molecular FormulaC21H24ClNO4
  • Average mass389.873 Da
  • Monoisotopic mass389.139374 Da
  • ChemSpider ID24628493

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Pyrrolidinebutanoic acid, 2-[[4-(4-chlorophenoxy)phenoxy]methyl]-, (2R)- [ACD/Index Name]
4-[(2R)-2-{[4-(4-Chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid [ACD/IUPAC Name]
4-[(2R)-2-{[4-(4-Chlorphenoxy)phenoxy]methyl}-1-pyrrolidinyl]butansäure [German] [ACD/IUPAC Name]
Acide 4-[(2R)-2-{[4-(4-chlorophénoxy)phénoxy]méthyl}-1-pyrrolidinyl]butanoïque [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: 551.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.6±3.0 kJ/mol
Flash Point: 287.5±27.3 °C
Index of Refraction: 1.573
Molar Refractivity: 104.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 1.74
ACD/BCF (pH 5.5): 3.06
ACD/KOC (pH 5.5): 14.87
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 3.23
ACD/KOC (pH 7.4): 15.68
Polar Surface Area: 59 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 317.0±3.0 cm3

Click to predict properties on the Chemicalize site


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