ChemSpider 2D Image | (+)-ibuprofen alcohol | C13H20O

(+)-ibuprofen alcohol

  • Molecular FormulaC13H20O
  • Average mass192.297 Da
  • Monoisotopic mass192.151413 Da
  • ChemSpider ID32698889

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(+)-ibuprofen alcohol
(2R)-2-(4-Isobutylphenyl)-1-propanol [German] [ACD/IUPAC Name]
(2R)-2-(4-Isobutylphenyl)-1-propanol [ACD/IUPAC Name]
(2R)-2-(4-Isobutylphényl)-1-propanol [French] [ACD/IUPAC Name]
93673-13-3 [RN]
Benzeneethanol, β-methyl-4-(2-methylpropyl)-, (βR)- [ACD/Index Name]
(2R)-2-[4-(2-methylpropyl)phenyl]propan-1-ol
(2S)-2-(4-isobutylphenyl)propan-1-ol
(2S)-2-[4-(2-methylpropyl)phenyl]propan-1-ol
36039-36-8 [RN]
More...

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

14TRB9JHZ8 [DBID]
UNII:14TRB9JHZ8 [DBID]
UNII-14TRB9JHZ8 [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 223.9±8.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.7±3.0 kJ/mol
Flash Point: 105.3±3.7 °C
Index of Refraction: 1.510
Molar Refractivity: 60.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 191.28
ACD/KOC (pH 5.5): 1495.65
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 191.28
ACD/KOC (pH 7.4): 1495.65
Polar Surface Area: 20 Å2
Polarizability: 24.1±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 203.2±3.0 cm3

Click to predict properties on the Chemicalize site


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