ChemSpider 2D Image | 4-Chloro-2-[(R)-(3aS,8aR)-8,8a-dihydro-2H-indeno[1,2-d][1,3]oxazol-3(3aH)-yl(phenyl)methyl]phenol | C23H20ClNO2

4-Chloro-2-[(R)-(3aS,8aR)-8,8a-dihydro-2H-indeno[1,2-d][1,3]oxazol-3(3aH)-yl(phenyl)methyl]phenol

  • Molecular FormulaC23H20ClNO2
  • Average mass377.863 Da
  • Monoisotopic mass377.118256 Da
  • ChemSpider ID24736145

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

4-Chlor-2-[(R)-(3aS,8aR)-8,8a-dihydro-2H-indeno[1,2-d][1,3]oxazol-3(3aH)-yl(phenyl)methyl]phenol [German] [ACD/IUPAC Name]
4-Chloro-2-[(R)-(3aS,8aR)-8,8a-dihydro-2H-indeno[1,2-d][1,3]oxazol-3(3aH)-yl(phenyl)methyl]phenol [ACD/IUPAC Name]
4-Chloro-2-[(R)-(3aS,8aR)-8,8a-dihydro-2H-indéno[1,2-d][1,3]oxazol-3(3aH)-yl(phényl)méthyl]phénol [French] [ACD/IUPAC Name]
Phenol, 4-chloro-2-[(R)-[(3aS,8aR)-8,8a-dihydro-2H-indeno[1,2-d]oxazol-3(3aH)-yl]phenylmethyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 510.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.0±3.0 kJ/mol
Flash Point: 262.2±30.1 °C
Index of Refraction: 1.664
Molar Refractivity: 106.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 4.96
ACD/BCF (pH 5.5): 3446.62
ACD/KOC (pH 5.5): 11787.86
ACD/LogD (pH 7.4): 4.96
ACD/BCF (pH 7.4): 3440.03
ACD/KOC (pH 7.4): 11765.32
Polar Surface Area: 33 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 55.3±3.0 dyne/cm
Molar Volume: 287.4±3.0 cm3

Click to predict properties on the Chemicalize site


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