ChemSpider 2D Image | 1-[6-[2-(Dimethylamino)ethoxy]-4,7-dimethoxy-5-benzofuranyl]-3-(4-methoxyphenyl)-2-propen-1-one | C24H27NO6

1-[6-[2-(Dimethylamino)ethoxy]-4,7-dimethoxy-5-benzofuranyl]-3-(4-methoxyphenyl)-2-propen-1-one

  • Molecular FormulaC24H27NO6
  • Average mass425.474 Da
  • Monoisotopic mass425.183838 Da
  • ChemSpider ID21173084

More details:

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

1-[6-[2-(Dimethylamino)ethoxy]-4,7-dimethoxy-5-benzofuranyl]-3-(4-methoxyphenyl)-2-propen-1-one
1-{6-[2-(Dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl}-3-(4-methoxyphenyl)-2-propen-1-on [German] [ACD/IUPAC Name]
1-{6-[2-(Dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl}-3-(4-methoxyphenyl)-2-propen-1-one [ACD/IUPAC Name]
1-{6-[2-(Diméthylamino)éthoxy]-4,7-diméthoxy-1-benzofuran-5-yl}-3-(4-méthoxyphényl)-2-propén-1-one [French] [ACD/IUPAC Name]
247-524-8 [EINECS]
26225-59-2 [RN]
2-Propen-1-one, 1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-5-benzofuranyl]-3-(4-methoxyphenyl)- [ACD/Index Name]
mecinarone [INN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 589.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.0±3.0 kJ/mol
Flash Point: 310.2±30.1 °C
Index of Refraction: 1.592
Molar Refractivity: 121.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.13
ACD/LogD (pH 7.4): 2.75
ACD/BCF (pH 7.4): 45.19
ACD/KOC (pH 7.4): 302.50
Polar Surface Area: 70 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 359.5±3.0 cm3

Click to predict properties on the Chemicalize site


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