ChemSpider 2D Image | 3,3'-[1,3-Propanediylbis(oxy-4,1-phenylene)]bis[1-(4-methoxyphenyl)-2-propen-1-one] | C35H32O6

3,3'-[1,3-Propanediylbis(oxy-4,1-phenylene)]bis[1-(4-methoxyphenyl)-2-propen-1-one]

  • Molecular FormulaC35H32O6
  • Average mass548.625 Da
  • Monoisotopic mass548.219910 Da
  • ChemSpider ID334204

More details:

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

2-Propen-1-one, 3,3'-[1,3-propanediylbis(oxy-4,1-phenylene)]bis[1-(4-methoxyphenyl)- [ACD/Index Name]
3,3'-[1,3-Propandiylbis(oxy-4,1-phenylen)]bis[1-(4-methoxyphenyl)-2-propen-1-on] [German] [ACD/IUPAC Name]
3,3'-[1,3-Propanediylbis(oxy-4,1-phenylene)]bis[1-(4-methoxyphenyl)-2-propen-1-one] [ACD/IUPAC Name]
3,3'-[1,3-Propanediylbis(oxy-4,1-phénylène)]bis[1-(4-méthoxyphényl)-2-propén-1-one] [French] [ACD/IUPAC Name]

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

NCI60_020185 [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: 741.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.1±3.0 kJ/mol
Flash Point: 308.0±32.9 °C
Index of Refraction: 1.623
Molar Refractivity: 163.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 8.24
ACD/LogD (pH 5.5): 7.00
ACD/BCF (pH 5.5): 122755.58
ACD/KOC (pH 5.5): 152867.02
ACD/LogD (pH 7.4): 7.00
ACD/BCF (pH 7.4): 122755.58
ACD/KOC (pH 7.4): 152867.02
Polar Surface Area: 71 Å2
Polarizability: 64.8±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 463.6±3.0 cm3

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