ChemSpider 2D Image | (3R)-3-(3-{[2'-Fluoro-5'-methoxy-2-(2-methyl-2-propanyl)-4-biphenylyl]methoxy}phenyl)pentanoic acid | C29H33FO4

(3R)-3-(3-{[2'-Fluoro-5'-methoxy-2-(2-methyl-2-propanyl)-4-biphenylyl]methoxy}phenyl)pentanoic acid

  • Molecular FormulaC29H33FO4
  • Average mass464.568 Da
  • Monoisotopic mass464.236298 Da
  • ChemSpider ID28667410

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3-(3-{[2'-Fluor-5'-methoxy-2-(2-methyl-2-propanyl)-4-biphenylyl]methoxy}phenyl)pentansäure [German] [ACD/IUPAC Name]
(3R)-3-(3-{[2'-Fluoro-5'-methoxy-2-(2-methyl-2-propanyl)-4-biphenylyl]methoxy}phenyl)pentanoic acid [ACD/IUPAC Name]
Acide (3R)-3-(3-{[2'-fluoro-5'-méthoxy-2-(2-méthyl-2-propanyl)-4-biphénylyl]méthoxy}phényl)pentanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 3-[[2-(1,1-dimethylethyl)-2'-fluoro-5'-methoxy[1,1'-biphenyl]-4-yl]methoxy]-β-ethyl-, (βR)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 588.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.4±3.0 kJ/mol
Flash Point: 309.6±30.1 °C
Index of Refraction: 1.554
Molar Refractivity: 132.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 8.08
ACD/LogD (pH 5.5): 5.95
ACD/BCF (pH 5.5): 11716.94
ACD/KOC (pH 5.5): 15541.64
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 184.39
ACD/KOC (pH 7.4): 244.57
Polar Surface Area: 56 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 40.2±3.0 dyne/cm
Molar Volume: 412.0±3.0 cm3

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