ChemSpider 2D Image | 4-Hydroxy-4-[3-(4-hydroxyphenyl)propyl]-3-methoxy-2,5-cyclohexadien-1-one | C16H18O4

4-Hydroxy-4-[3-(4-hydroxyphenyl)propyl]-3-methoxy-2,5-cyclohexadien-1-one

  • Molecular FormulaC16H18O4
  • Average mass274.312 Da
  • Monoisotopic mass274.120514 Da
  • ChemSpider ID28289729

More details:

Featured data source
Natural Product Updates

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

2,5-Cyclohexadien-1-one, 4-hydroxy-4-[3-(4-hydroxyphenyl)propyl]-3-methoxy- [ACD/Index Name]
4-Hydroxy-4-[3-(4-hydroxyphenyl)propyl]-3-methoxy-2,5-cyclohexadien-1-on [German] [ACD/IUPAC Name]
4-Hydroxy-4-[3-(4-hydroxyphenyl)propyl]-3-methoxy-2,5-cyclohexadien-1-one [ACD/IUPAC Name]
4-Hydroxy-4-[3-(4-hydroxyphényl)propyl]-3-méthoxy-2,5-cyclohexadién-1-one [French] [ACD/IUPAC Name]
broussonone A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 511.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.4±3.0 kJ/mol
Flash Point: 192.0±23.6 °C
Index of Refraction: 1.603
Molar Refractivity: 75.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 19.57
ACD/KOC (pH 5.5): 292.46
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 19.53
ACD/KOC (pH 7.4): 291.88
Polar Surface Area: 67 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 55.5±5.0 dyne/cm
Molar Volume: 220.0±5.0 cm3

Click to predict properties on the Chemicalize site


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