ChemSpider 2D Image | 6,7,8,9-Tetrahydro-4-hydroxy-3-(1-phenylpropyl)cyclohepta[b]pyran-2-one | C19H22O3

6,7,8,9-Tetrahydro-4-hydroxy-3-(1-phenylpropyl)cyclohepta[b]pyran-2-one

  • Molecular FormulaC19H22O3
  • Average mass298.376 Da
  • Monoisotopic mass298.156891 Da
  • ChemSpider ID21395223

More details:

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

4-Hydroxy-3-(1-phenylpropyl)-6,7,8,9-tetrahydrocyclohepta[b]pyran-2(5H)-on [German] [ACD/IUPAC Name]
4-Hydroxy-3-(1-phenylpropyl)-6,7,8,9-tetrahydrocyclohepta[b]pyran-2(5H)-one [ACD/IUPAC Name]
4-Hydroxy-3-(1-phénylpropyl)-6,7,8,9-tétrahydrocyclohepta[b]pyran-2(5H)-one [French] [ACD/IUPAC Name]
6,7,8,9-Tetrahydro-4-hydroxy-3-(1-phenylpropyl)cyclohepta[b]pyran-2-one
Cyclohepta[b]pyran-2(5H)-one, 6,7,8,9-tetrahydro-4-hydroxy-3-(1-phenylpropyl)- [ACD/Index Name]
4-hydroxy-3-[(1S)-1-phenylpropyl]-2H,5H,6H,7H,8H,9H-cyclohepta[b]pyran-2-one
4-hydroxy-3-[(1S)-1-phenylpropyl]-5H,6H,7H,8H,9H-cyclohepta[b]pyran-2-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 467.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.9±3.0 kJ/mol
Flash Point: 192.9±21.5 °C
Index of Refraction: 1.589
Molar Refractivity: 85.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.94
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 111.49
ACD/KOC (pH 5.5): 514.55
ACD/LogD (pH 7.4): 1.56
ACD/BCF (pH 7.4): 1.92
ACD/KOC (pH 7.4): 8.88
Polar Surface Area: 47 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 48.3±5.0 dyne/cm
Molar Volume: 252.7±5.0 cm3

Click to predict properties on the Chemicalize site


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