ChemSpider 2D Image | 3-(4-Methoxyphenyl)propyl 5-(hydroxymethyl)-7-methoxy-2-(3-methoxy-4-phenoxyphenyl)-1-benzofuran-3-carboxylate | C34H32O8

3-(4-Methoxyphenyl)propyl 5-(hydroxymethyl)-7-methoxy-2-(3-methoxy-4-phenoxyphenyl)-1-benzofuran-3-carboxylate

  • Molecular FormulaC34H32O8
  • Average mass568.613 Da
  • Monoisotopic mass568.209717 Da
  • ChemSpider ID5045195

More details:

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

3-(4-Methoxyphenyl)propyl 5-(hydroxymethyl)-7-methoxy-2-(3-methoxy-4-phenoxyphenyl)-1-benzofuran-3-carboxylate [ACD/IUPAC Name]
3-(4-Methoxyphenyl)propyl-5-(hydroxymethyl)-7-methoxy-2-(3-methoxy-4-phenoxyphenyl)-1-benzofuran-3-carboxylat [German] [ACD/IUPAC Name]
3-Benzofurancarboxylic acid, 5-(hydroxymethyl)-7-methoxy-2-(3-methoxy-4-phenoxyphenyl)-, 3-(4-methoxyphenyl)propyl ester [ACD/Index Name]
5-(Hydroxyméthyl)-7-méthoxy-2-(3-méthoxy-4-phénoxyphényl)-1-benzofurane-3-carboxylate de 3-(4-méthoxyphényl)propyle [French] [ACD/IUPAC Name]

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

CBiol_000448 [DBID]
ICCB3_000096 [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: 733.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.3±3.0 kJ/mol
Flash Point: 397.3±32.9 °C
Index of Refraction: 1.610
Molar Refractivity: 159.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.66
ACD/LogD (pH 5.5): 5.55
ACD/BCF (pH 5.5): 9817.71
ACD/KOC (pH 5.5): 25065.15
ACD/LogD (pH 7.4): 5.55
ACD/BCF (pH 7.4): 9817.70
ACD/KOC (pH 7.4): 25065.15
Polar Surface Area: 97 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 459.6±3.0 cm3

Click to predict properties on the Chemicalize site


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