ChemSpider 2D Image | Fexofenadine | C32H39NO4


  • Molecular FormulaC32H39NO4
  • Average mass501.656 Da
  • Monoisotopic mass501.287903 Da
  • ChemSpider ID3231

More details:

Featured data source

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

Fexofenadine [Wiki]
Terfenadine carboxylate
2-(4-(1-hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)phenyl)-2-methylpropionic acid
2-[4-(1-Hydroxy-4-{4-[hydroxy(diphenyl)methyl]-1-piperidinyl}butyl)phenyl]-2-methylpropanoic acid [ACD/IUPAC Name]
2-[4-(1-Hydroxy-4-{4-[hydroxy(diphenyl)methyl]-1-piperidinyl}butyl)phenyl]-2-methylpropansäure [German] [ACD/IUPAC Name]
2-[4-(1-hydroxy-4-{4-[hydroxy(diphenyl)methyl]piperidin-1-yl}butyl)phenyl]-2-methylpropanoic acid
4-(1-hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-α,α-dimethylbenzeneacetic acid
83799-24-0 [RN]
Acide 2-[4-(1-hydroxy-4-{4-[hydroxy(diphényl)méthyl]-1-pipéridinyl}butyl)phényl]-2-méthylpropanoïque [French] [ACD/IUPAC Name]
benzeneacetic acid, 4-[1-hydroxy-4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]butyl]-a,a-dimethyl-

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

7469 [DBID]
6832242 [DBID]
C06999 [DBID]
EPA Pesticide Chemical Code 079011 [DBID]
EU-0100488 [DBID]
KBio2_002449 [DBID]
KBio2_005017 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 697.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 375.5±31.5 °C
Index of Refraction: 1.597
Molar Refractivity: 145.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.80
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 9.83
ACD/KOC (pH 5.5): 34.25
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 10.33
ACD/KOC (pH 7.4): 35.99
Polar Surface Area: 81 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 428.1±3.0 cm3

Click to predict properties on the Chemicalize site