ChemSpider 2D Image | 2-(4-Biphenylyl)-3-{4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl}propanoic acid | C34H31NO3

2-(4-Biphenylyl)-3-{4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl}propanoic acid

  • Molecular FormulaC34H31NO3
  • Average mass501.615 Da
  • Monoisotopic mass501.230408 Da
  • ChemSpider ID8339539

More details:

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

2-(4-Biphenylyl)-3-{4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl}propanoic acid [ACD/IUPAC Name]
2-(4-Biphenylyl)-3-{4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl}propansäure [German] [ACD/IUPAC Name]
Acide 2-(4-biphénylyl)-3-{4-[3-(5-méthyl-2-phényl-1,3-oxazol-4-yl)propyl]phényl}propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-[1,1'-biphenyl]-4-yl-4-[3-(5-methyl-2-phenyl-4-oxazolyl)propyl]- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL478335/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 663.1±57.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.5±3.0 kJ/mol
Flash Point: 354.8±32.1 °C
Index of Refraction: 1.616
Molar Refractivity: 149.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 8.77
ACD/LogD (pH 5.5): 6.35
ACD/BCF (pH 5.5): 18532.09
ACD/KOC (pH 5.5): 16232.03
ACD/LogD (pH 7.4): 4.58
ACD/BCF (pH 7.4): 318.18
ACD/KOC (pH 7.4): 278.69
Polar Surface Area: 63 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 427.7±3.0 cm3

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