ChemSpider 2D Image | 4-Hydroxy-7-methoxy-3-(1-phenyl-propyl)-chromen-2-one | C19H18O4

4-Hydroxy-7-methoxy-3-(1-phenyl-propyl)-chromen-2-one

  • Molecular FormulaC19H18O4
  • Average mass310.344 Da
  • Monoisotopic mass310.120514 Da
  • ChemSpider ID25058337
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

2H-1-Benzopyran-2-one, 4-hydroxy-7-methoxy-3-[(1S)-1-phenylpropyl]- [ACD/Index Name]
4-Hydroxy-7-methoxy-3-(1-phenyl-propyl)-chromen-2-one
4-Hydroxy-7-methoxy-3-[(1S)-1-phenylpropyl]-2H-chromen-2-on [German] [ACD/IUPAC Name]
4-Hydroxy-7-methoxy-3-[(1S)-1-phenylpropyl]-2H-chromen-2-one [ACD/IUPAC Name]
4-Hydroxy-7-méthoxy-3-[(1S)-1-phénylpropyl]-2H-chromén-2-one [French] [ACD/IUPAC Name]
4-hydroxy-7-methoxy-3-[(1S)-1-phenylpropyl]chromen-2-one

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 496.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.5±3.0 kJ/mol
Flash Point: 180.0±22.2 °C
Index of Refraction: 1.620
Molar Refractivity: 86.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.72
ACD/LogD (pH 5.5): 2.81
ACD/BCF (pH 5.5): 45.03
ACD/KOC (pH 5.5): 268.91
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.64
Polar Surface Area: 56 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 53.6±3.0 dyne/cm
Molar Volume: 246.1±3.0 cm3

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