ChemSpider 2D Image | (2S)-1-Butoxy-3-phenoxy-2-propanol | C13H20O3

(2S)-1-Butoxy-3-phenoxy-2-propanol

  • Molecular FormulaC13H20O3
  • Average mass224.296 Da
  • Monoisotopic mass224.141251 Da
  • ChemSpider ID32786872

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1-Butoxy-3-phenoxy-2-propanol [German] [ACD/IUPAC Name]
(2S)-1-Butoxy-3-phenoxy-2-propanol [ACD/IUPAC Name]
(2S)-1-Butoxy-3-phénoxy-2-propanol [French] [ACD/IUPAC Name]
2-Propanol, 1-butoxy-3-phenoxy-, (2S)- [ACD/Index Name]
221-454-8 [EINECS]
3102-00-9 [RN]
Febuprol [INN]
UNII-B5RKR9Y63Y

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

67ZX058M08 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 346.0±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.3±3.0 kJ/mol
Flash Point: 163.1±22.3 °C
Index of Refraction: 1.502
Molar Refractivity: 64.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.83
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 46.17
ACD/KOC (pH 5.5): 540.74
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 46.17
ACD/KOC (pH 7.4): 540.74
Polar Surface Area: 39 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 37.5±3.0 dyne/cm
Molar Volume: 216.7±3.0 cm3

Click to predict properties on the Chemicalize site


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