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Search term: 325218 (Found by CSID)
ChemSpider 2D Image | 3'-(3,5-Dihydroxyphenyl)-2,2'-bis(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)vinyl]-2,2',3,3'-tetrahydro-3,4'-bi-1-benzofuran-6,6'-diol | C42H32O9

3'-(3,5-Dihydroxyphenyl)-2,2'-bis(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)vinyl]-2,2',3,3'-tetrahydro-3,4'-bi-1-benzofuran-6,6'-diol

  • Molecular FormulaC42H32O9
  • Average mass680.698 Da
  • Monoisotopic mass680.204651 Da
  • ChemSpider ID325218

More details:

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

[3,4'-Bibenzofuran]-6,6'-diol, 3'-(3,5-dihydroxyphenyl)-2,2',3,3'-tetrahydro-2,2'-bis(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]- [ACD/Index Name]
3'-(3,5-Dihydroxyphenyl)-2,2'-bis(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)vinyl]-2,2',3,3'-tetrahydro-3,4'-bi-1-benzofuran-6,6'-diol [German] [ACD/IUPAC Name]
3'-(3,5-Dihydroxyphenyl)-2,2'-bis(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)vinyl]-2,2',3,3'-tetrahydro-3,4'-bi-1-benzofuran-6,6'-diol [ACD/IUPAC Name]
3'-(3,5-Dihydroxyphényl)-2,2'-bis(4-hydroxyphényl)-4-[2-(4-hydroxyphényl)vinyl]-2,2',3,3'-tétrahydro-3,4'-bi-1-benzofurane-6,6'-diol [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 886.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.2±3.0 kJ/mol
Flash Point: 489.9±34.3 °C
Index of Refraction: 1.783
Molar Refractivity: 192.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 6.17
ACD/LogD (pH 5.5): 5.86
ACD/BCF (pH 5.5): 16881.92
ACD/KOC (pH 5.5): 36941.57
ACD/LogD (pH 7.4): 5.85
ACD/BCF (pH 7.4): 16250.67
ACD/KOC (pH 7.4): 35560.25
Polar Surface Area: 160 Å2
Polarizability: 76.5±0.5 10-24cm3
Surface Tension: 82.5±3.0 dyne/cm
Molar Volume: 458.7±3.0 cm3

Click to predict properties on the Chemicalize site


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