ChemSpider 2D Image | (2E)-1-(7-Hydroxy-5-methoxy-2,2-dimethyl-2H-chromen-6-yl)-3-phenyl-2-propen-1-one | C21H20O4

(2E)-1-(7-Hydroxy-5-methoxy-2,2-dimethyl-2H-chromen-6-yl)-3-phenyl-2-propen-1-one

  • Molecular FormulaC21H20O4
  • Average mass336.381 Da
  • Monoisotopic mass336.136169 Da
  • ChemSpider ID24845965

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-1-(7-Hydroxy-5-methoxy-2,2-dimethyl-2H-chromen-6-yl)-3-phenyl-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-1-(7-Hydroxy-5-methoxy-2,2-dimethyl-2H-chromen-6-yl)-3-phenyl-2-propen-1-one [ACD/IUPAC Name]
(2E)-1-(7-Hydroxy-5-méthoxy-2,2-diméthyl-2H-chromén-6-yl)-3-phényl-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 1-(7-hydroxy-5-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-3-phenyl-, (2E)- [ACD/Index Name]
Oaxacacin

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

Density: 1.2±0.1 g/cm3
Boiling Point: 546.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.7±3.0 kJ/mol
Flash Point: 195.2±23.6 °C
Index of Refraction: 1.615
Molar Refractivity: 98.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.09
ACD/LogD (pH 5.5): 5.07
ACD/BCF (pH 5.5): 4130.50
ACD/KOC (pH 5.5): 13357.18
ACD/LogD (pH 7.4): 4.51
ACD/BCF (pH 7.4): 1138.85
ACD/KOC (pH 7.4): 3682.82
Polar Surface Area: 56 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 281.8±3.0 cm3

Click to predict properties on the Chemicalize site


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