ChemSpider 2D Image | (2S)-2-[(2'-Isopropyl-4-biphenylyl)oxy]-3-phenylpropanoic acid | C24H24O3

(2S)-2-[(2'-Isopropyl-4-biphenylyl)oxy]-3-phenylpropanoic acid

  • Molecular FormulaC24H24O3
  • Average mass360.446 Da
  • Monoisotopic mass360.172546 Da
  • ChemSpider ID29398461
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-2-[(2'-Isopropyl-4-biphenylyl)oxy]-3-phenylpropanoic acid [ACD/IUPAC Name]
(2S)-2-[(2'-Isopropyl-4-biphenylyl)oxy]-3-phenylpropansäure [German] [ACD/IUPAC Name]
(2s)-3-Phenyl-2-{[2'-(Propan-2-Yl)biphenyl-4-Yl]oxy}propanoic Acid
Acide (2S)-2-[(2'-isopropyl-4-biphénylyl)oxy]-3-phénylpropanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-[[2'-(1-methylethyl)[1,1'-biphenyl]-4-yl]oxy]-, (αS)- [ACD/Index Name]
RRG

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 534.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.3±3.0 kJ/mol
Flash Point: 182.9±23.6 °C
Index of Refraction: 1.589
Molar Refractivity: 107.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.24
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 75.13
ACD/KOC (pH 5.5): 167.97
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 3.70
ACD/KOC (pH 7.4): 8.27
Polar Surface Area: 47 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 317.5±3.0 cm3

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