ChemSpider 2D Image | 4-[{4'-Methoxy-4-(methoxymethyl)-3-[(4-methoxyphenyl)ethynyl]-2-biphenylyl}(4-methoxyphenyl)methylene]-2,5-cyclohexadien-1-one | C38H32O5

4-[{4'-Methoxy-4-(methoxymethyl)-3-[(4-methoxyphenyl)ethynyl]-2-biphenylyl}(4-methoxyphenyl)methylene]-2,5-cyclohexadien-1-one

  • Molecular FormulaC38H32O5
  • Average mass568.658 Da
  • Monoisotopic mass568.224976 Da
  • ChemSpider ID17597246

More details:

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

2,5-Cyclohexadien-1-one, 4-[[4'-methoxy-4-(methoxymethyl)-3-[2-(4-methoxyphenyl)ethynyl][1,1'-biphenyl]-2-yl](4-methoxyphenyl)methylene]- [ACD/Index Name]
4-[{4'-Methoxy-4-(methoxymethyl)-3-[(4-methoxyphenyl)ethinyl]-2-biphenylyl}(4-methoxyphenyl)methylen]-2,5-cyclohexadien-1-on [German] [ACD/IUPAC Name]
4-[{4'-Methoxy-4-(methoxymethyl)-3-[(4-methoxyphenyl)ethynyl]-2-biphenylyl}(4-methoxyphenyl)methylene]-2,5-cyclohexadien-1-one [ACD/IUPAC Name]
4-[{4'-Méthoxy-4-(méthoxyméthyl)-3-[(4-méthoxyphényl)éthynyl]-2-biphénylyl}(4-méthoxyphényl)méthylène]-2,5-cyclohexadién-1-one [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 773.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 112.6±3.0 kJ/mol
Flash Point: 319.3±32.9 °C
Index of Refraction: 1.656
Molar Refractivity: 168.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.96
ACD/LogD (pH 5.5): 7.20
ACD/BCF (pH 5.5): 174203.91
ACD/KOC (pH 5.5): 196392.83
ACD/LogD (pH 7.4): 7.20
ACD/BCF (pH 7.4): 174203.91
ACD/KOC (pH 7.4): 196392.83
Polar Surface Area: 54 Å2
Polarizability: 66.6±0.5 10-24cm3
Surface Tension: 58.5±5.0 dyne/cm
Molar Volume: 457.4±5.0 cm3

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