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Search term: YTFALRWIYKBAAI (Found by InChIKey (skeleton match))

ChemSpider 2D Image | (2E)-1-[2,4-Dihydroxy-3,5-bis(2-hydroxybenzyl)-6-methoxyphenyl]-3-phenyl-2-propen-1-one | C30H26O6

(2E)-1-[2,4-Dihydroxy-3,5-bis(2-hydroxybenzyl)-6-methoxyphenyl]-3-phenyl-2-propen-1-one

  • Molecular FormulaC30H26O6
  • Average mass482.524 Da
  • Monoisotopic mass482.172943 Da
  • ChemSpider ID60596760
  • Double-bond stereo - Double-bond stereo


More details:






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

(2E)-1-[2,4-Dihydroxy-3,5-bis(2-hydroxybenzyl)-6-methoxyphenyl]-3-phenyl-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-1-[2,4-Dihydroxy-3,5-bis(2-hydroxybenzyl)-6-methoxyphenyl]-3-phenyl-2-propen-1-one [ACD/IUPAC Name]
(2E)-1-[2,4-Dihydroxy-3,5-bis(2-hydroxybenzyl)-6-méthoxyphényl]-3-phényl-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 1-[2,4-dihydroxy-3,5-bis[(2-hydroxyphenyl)methyl]-6-methoxyphenyl]-3-phenyl-, (2E)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 735.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.0±3.0 kJ/mol
Flash Point: 245.5±26.4 °C
Index of Refraction: 1.689
Molar Refractivity: 139.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.12
ACD/LogD (pH 5.5): 5.65
ACD/BCF (pH 5.5): 11576.76
ACD/KOC (pH 5.5): 27980.81
ACD/LogD (pH 7.4): 5.15
ACD/BCF (pH 7.4): 3648.61
ACD/KOC (pH 7.4): 8818.61
Polar Surface Area: 107 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 62.4±3.0 dyne/cm
Molar Volume: 366.3±3.0 cm3

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