ChemSpider 2D Image | (2S)-3-(4-Biphenylyl)-2-(4-biphenylyloxy)propanoic acid | C27H22O3

(2S)-3-(4-Biphenylyl)-2-(4-biphenylyloxy)propanoic acid

  • Molecular FormulaC27H22O3
  • Average mass394.462 Da
  • Monoisotopic mass394.156891 Da
  • ChemSpider ID35035713

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-{[1,1'-biphenyl]-4-yloxy}-3-{[1,1'-biphenyl]-4-yl}propanoic acid
(2S)-3-(4-Biphenylyl)-2-(4-biphenylyloxy)propanoic acid [ACD/IUPAC Name]
(2S)-3-(4-Biphenylyl)-2-(4-biphenylyloxy)propansäure [German] [ACD/IUPAC Name]
(2s)-3-(Biphenyl-4-Yl)-2-(Biphenyl-4-Yloxy)propanoic Acid
[1,1'-Biphenyl]-4-propanoic acid, α-([1,1'-biphenyl]-4-yloxy)-, (αS)- [ACD/Index Name]
2252488-69-8 [RN]
Acide (2S)-3-(4-biphénylyl)-2-(4-biphénylyloxy)propanoïque [French] [ACD/IUPAC Name]
(2S)-2-(4-phenylphenoxy)-3-(4-phenylphenyl)propanoic acid
AXY
LJ570
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 601.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.0±3.0 kJ/mol
Flash Point: 205.8±25.0 °C
Index of Refraction: 1.623
Molar Refractivity: 117.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.65
ACD/LogD (pH 5.5): 3.57
ACD/BCF (pH 5.5): 75.97
ACD/KOC (pH 5.5): 149.09
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 5.31
ACD/KOC (pH 7.4): 10.42
Polar Surface Area: 47 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 332.7±3.0 cm3

Click to predict properties on the Chemicalize site


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