ChemSpider 2D Image | (2E)-1-(3,4-Dimethoxyphenyl)-3-[(4R)-2-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)-4H-chromen-3-yl]-2-propen-1-one | C35H32O6

(2E)-1-(3,4-Dimethoxyphenyl)-3-[(4R)-2-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)-4H-chromen-3-yl]-2-propen-1-one

  • Molecular FormulaC35H32O6
  • Average mass548.625 Da
  • Monoisotopic mass548.219910 Da
  • ChemSpider ID1369813

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2E)-1-(3,4-Dimethoxyphenyl)-3-[(4R)-2-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)-4H-chromen-3-yl]-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-1-(3,4-Dimethoxyphenyl)-3-[(4R)-2-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)-4H-chromen-3-yl]-2-propen-1-one [ACD/IUPAC Name]
(2E)-1-(3,4-Diméthoxyphényl)-3-[(4R)-2-(3,4-diméthoxyphényl)-4-(2-méthylphényl)-4H-chromén-3-yl]-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 1-(3,4-dimethoxyphenyl)-3-[(4R)-2-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)-4H-1-benzopyran-3-yl]-, (2E)- [ACD/Index Name]

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

ZINC02062379 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 682.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 284.5±31.5 °C
Index of Refraction: 1.629
Molar Refractivity: 160.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.60
ACD/LogD (pH 5.5): 6.80
ACD/BCF (pH 5.5): 87316.69
ACD/KOC (pH 5.5): 119788.97
ACD/LogD (pH 7.4): 6.80
ACD/BCF (pH 7.4): 87316.69
ACD/KOC (pH 7.4): 119788.97
Polar Surface Area: 63 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 452.5±3.0 cm3

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