ChemSpider 2D Image | (5R,6R)-6-(4-Bromophenyl)-4-methoxy-5-methyl-5,6-dihydro-2H-pyran-2-one | C13H13BrO3

(5R,6R)-6-(4-Bromophenyl)-4-methoxy-5-methyl-5,6-dihydro-2H-pyran-2-one

  • Molecular FormulaC13H13BrO3
  • Average mass297.145 Da
  • Monoisotopic mass296.004791 Da
  • ChemSpider ID30651908

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5R,6R)-6-(4-Bromophenyl)-4-methoxy-5-methyl-5,6-dihydro-2H-pyran-2-one [ACD/IUPAC Name]
(5R,6R)-6-(4-Bromophényl)-4-méthoxy-5-méthyl-5,6-dihydro-2H-pyran-2-one [French] [ACD/IUPAC Name]
(5R,6R)-6-(4-Bromphenyl)-4-methoxy-5-methyl-5,6-dihydro-2H-pyran-2-on [German] [ACD/IUPAC Name]
2H-Pyran-2-one, 6-(4-bromophenyl)-5,6-dihydro-4-methoxy-5-methyl-, (5R,6R)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 427.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.3±3.0 kJ/mol
Flash Point: 212.5±28.7 °C
Index of Refraction: 1.585
Molar Refractivity: 68.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.40
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 113.71
ACD/KOC (pH 5.5): 1030.72
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 113.71
ACD/KOC (pH 7.4): 1030.72
Polar Surface Area: 36 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 46.7±5.0 dyne/cm
Molar Volume: 203.2±5.0 cm3

Click to predict properties on the Chemicalize site


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