ChemSpider 2D Image | 1,7-Bis(4-hydroxy-3-methoxyphenyl)-3-heptanone | C21H26O5

1,7-Bis(4-hydroxy-3-methoxyphenyl)-3-heptanone

  • Molecular FormulaC21H26O5
  • Average mass358.428 Da
  • Monoisotopic mass358.178009 Da
  • ChemSpider ID24665662

More details:

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

1,7-Bis(4-hydroxy-3-methoxyphenyl)-3-heptanon [German] [ACD/IUPAC Name]
1,7-Bis(4-hydroxy-3-methoxyphenyl)-3-heptanone [ACD/IUPAC Name]
1,7-Bis(4-hydroxy-3-méthoxyphényl)-3-heptanone [French] [ACD/IUPAC Name]
3-Heptanone, 1,7-bis(4-hydroxy-3-methoxyphenyl)- [ACD/Index Name]
1,7-bis(4-hydroxy-3-methoxyphenyl)heptan-3-one
685530-97-6 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 567.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.3±3.0 kJ/mol
Flash Point: 197.7±23.6 °C
Index of Refraction: 1.568
Molar Refractivity: 100.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 70.74
ACD/KOC (pH 5.5): 733.79
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 70.45
ACD/KOC (pH 7.4): 730.82
Polar Surface Area: 76 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 307.5±3.0 cm3

Click to predict properties on the Chemicalize site


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