ChemSpider 2D Image | (2S)-2-(4-phenethylphenoxy)-3-phenyl-propanoic acid | C23H22O3

(2S)-2-(4-phenethylphenoxy)-3-phenyl-propanoic acid

  • Molecular FormulaC23H22O3
  • Average mass346.419 Da
  • Monoisotopic mass346.156891 Da
  • ChemSpider ID23333100

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(4-phenethylphenoxy)-3-phenyl-propanoic acid
(2S)-3-Phenyl-2-[4-(2-phenylethyl)phenoxy]propanoic acid [ACD/IUPAC Name]
(2S)-3-Phenyl-2-[4-(2-phenylethyl)phenoxy]propansäure [German] [ACD/IUPAC Name]
Acide (2S)-3-phényl-2-[4-(2-phényléthyl)phénoxy]propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-[4-(2-phenylethyl)phenoxy]-, (αS)- [ACD/Index Name]
(S)-2-(4-phenethylphenoxy)-3-phenylpropanoic acid
DKD
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL489075/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 503.8±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.4±3.0 kJ/mol
Flash Point: 173.5±20.3 °C
Index of Refraction: 1.608
Molar Refractivity: 102.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.72
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 47.19
ACD/KOC (pH 5.5): 123.73
ACD/LogD (pH 7.4): 1.89
ACD/BCF (pH 7.4): 2.17
ACD/KOC (pH 7.4): 5.68
Polar Surface Area: 47 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 295.7±3.0 cm3

Click to predict properties on the Chemicalize site


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