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Search term: JNBQJAWZIPMTSN-GFCCVEGCSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (4S)-4-Isopropyl-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole | C13H17NO2

(4S)-4-Isopropyl-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole

  • Molecular FormulaC13H17NO2
  • Average mass219.280 Da
  • Monoisotopic mass219.125931 Da
  • ChemSpider ID26373384

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-4-Isopropyl-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazol [German] [ACD/IUPAC Name]
(4S)-4-Isopropyl-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole [ACD/IUPAC Name]
(4S)-4-Isopropyl-2-(4-méthoxyphényl)-4,5-dihydro-1,3-oxazole [French] [ACD/IUPAC Name]
Oxazole, 4,5-dihydro-2-(4-methoxyphenyl)-4-(1-methylethyl)-, (4S)- [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: 325.3±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 54.5±3.0 kJ/mol
Flash Point: 123.1±15.7 °C
Index of Refraction: 1.539
Molar Refractivity: 62.6±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 72.05
ACD/KOC (pH 5.5): 668.28
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 104.29
ACD/KOC (pH 7.4): 967.32
Polar Surface Area: 31 Å2
Polarizability: 24.8±0.5 10-24cm3
Surface Tension: 33.8±7.0 dyne/cm
Molar Volume: 199.9±7.0 cm3

Click to predict properties on the Chemicalize site


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