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Search term: Cc1noc(C)c1-c1cc(O)cc(c1)[C@@H](O)c1ccccc1 (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 3-(3,5-Dimethyl-1,2-oxazol-4-yl)-5-[(S)-hydroxy(phenyl)methyl]phenol | C18H17NO3

3-(3,5-Dimethyl-1,2-oxazol-4-yl)-5-[(S)-hydroxy(phenyl)methyl]phenol

  • Molecular FormulaC18H17NO3
  • Average mass295.332 Da
  • Monoisotopic mass295.120850 Da
  • ChemSpider ID29418607

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-(3,5-Dimethyl-1,2-oxazol-4-yl)-5-[(S)-hydroxy(phenyl)methyl]phenol [German] [ACD/IUPAC Name]
3-(3,5-Dimethyl-1,2-oxazol-4-yl)-5-[(S)-hydroxy(phenyl)methyl]phenol [ACD/IUPAC Name]
3-(3,5-Diméthyl-1,2-oxazol-4-yl)-5-[(S)-hydroxy(phényl)méthyl]phénol [French] [ACD/IUPAC Name]
Benzenemethanol, 3-(3,5-dimethyl-4-isoxazolyl)-5-hydroxy-α-phenyl-, (αS)- [ACD/Index Name]
1H3

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

Density: 1.2±0.1 g/cm3
Boiling Point: 515.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.9±3.0 kJ/mol
Flash Point: 265.5±30.1 °C
Index of Refraction: 1.616
Molar Refractivity: 83.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.54
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 123.26
ACD/KOC (pH 5.5): 1091.93
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 121.32
ACD/KOC (pH 7.4): 1074.74
Polar Surface Area: 66 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 239.4±3.0 cm3

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