ChemSpider 2D Image | 3-[4-(3-{4-[Bis(4-fluorophenyl)(hydroxy)methyl]-1-piperidinyl}propoxy)phenyl]propanoic acid | C30H33F2NO4

3-[4-(3-{4-[Bis(4-fluorophenyl)(hydroxy)methyl]-1-piperidinyl}propoxy)phenyl]propanoic acid

  • Molecular FormulaC30H33F2NO4
  • Average mass509.584 Da
  • Monoisotopic mass509.237762 Da
  • ChemSpider ID23115875

More details:

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

3-[4-(3-{4-[Bis(4-fluorophenyl)(hydroxy)methyl]-1-piperidinyl}propoxy)phenyl]propanoic acid [ACD/IUPAC Name]
3-[4-(3-{4-[Bis(4-fluorphenyl)(hydroxy)methyl]-1-piperidinyl}propoxy)phenyl]propansäure [German] [ACD/IUPAC Name]
Acide 3-[4-(3-{4-[bis(4-fluorophényl)(hydroxy)méthyl]-1-pipéridinyl}propoxy)phényl]propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 4-[3-[4-[bis(4-fluorophenyl)hydroxymethyl]-1-piperidinyl]propoxy]- [ACD/Index Name]
3-[4-(3-{4-[bis(4-fluorophenyl)(hydroxy)methyl]piperidin-1-yl}propoxy)phenyl]propanoic acid
3-[4-(3-{4-[Bis-(4-fluoro-phenyl)-hydroxy-methyl]-piperidin-1-yl}-propoxy)-phenyl]-propionic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL275190/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 666.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.9±3.0 kJ/mol
Flash Point: 356.7±31.5 °C
Index of Refraction: 1.580
Molar Refractivity: 137.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.60
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 12.05
ACD/KOC (pH 5.5): 39.09
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 13.31
ACD/KOC (pH 7.4): 43.18
Polar Surface Area: 70 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 412.1±3.0 cm3

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