ChemSpider 2D Image | (2R)-2-(4-Biphenylyloxy)-3-phenylpropanoic acid | C21H18O3

(2R)-2-(4-Biphenylyloxy)-3-phenylpropanoic acid

  • Molecular FormulaC21H18O3
  • Average mass318.366 Da
  • Monoisotopic mass318.125580 Da
  • ChemSpider ID23333024

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-(4-Biphenylyloxy)-3-phenylpropanoic acid [ACD/IUPAC Name]
(2R)-2-(4-Biphenylyloxy)-3-phenylpropansäure [German] [ACD/IUPAC Name]
Acide (2R)-2-(4-biphénylyloxy)-3-phénylpropanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-([1,1'-biphenyl]-4-yloxy)-, (αR)- [ACD/Index Name]
(+)-(R)-2-(4-Phenylphenoxy)-3-phenylpropanoic Acid
(2R)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid
LRG
LT175 (R-1)

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

Density: 1.2±0.1 g/cm3
Boiling Point: 509.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.2±3.0 kJ/mol
Flash Point: 182.3±22.2 °C
Index of Refraction: 1.611
Molar Refractivity: 92.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 9.12
ACD/KOC (pH 5.5): 37.14
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.83
Polar Surface Area: 47 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 267.4±3.0 cm3

Click to predict properties on the Chemicalize site


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