ChemSpider 2D Image | Methyl 2-[4-(benzyloxy)-3-methoxyphenyl]-7-methoxy-5-(3-methoxy-3-oxopropyl)-1-benzofuran-3-carboxylate | C29H28O8

Methyl 2-[4-(benzyloxy)-3-methoxyphenyl]-7-methoxy-5-(3-methoxy-3-oxopropyl)-1-benzofuran-3-carboxylate

  • Molecular FormulaC29H28O8
  • Average mass504.528 Da
  • Monoisotopic mass504.178406 Da
  • ChemSpider ID5045085

More details:

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

2-[4-(Benzyloxy)-3-méthoxyphényl]-7-méthoxy-5-(3-méthoxy-3-oxopropyl)-1-benzofurane-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
5-Benzofuranpropanoic acid, 7-methoxy-3-(methoxycarbonyl)-2-[3-methoxy-4-(phenylmethoxy)phenyl]-, methyl ester [ACD/Index Name]
Methyl 2-[4-(benzyloxy)-3-methoxyphenyl]-7-methoxy-5-(3-methoxy-3-oxopropyl)-1-benzofuran-3-carboxylate [ACD/IUPAC Name]
Methyl-2-[4-(benzyloxy)-3-methoxyphenyl]-7-methoxy-5-(3-methoxy-3-oxopropyl)-1-benzofuran-3-carboxylat [German] [ACD/IUPAC Name]

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

CBiol_000333 [DBID]
ICCB2_000333 [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: 638.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.3±3.0 kJ/mol
Flash Point: 340.1±31.5 °C
Index of Refraction: 1.585
Molar Refractivity: 137.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.25
ACD/LogD (pH 5.5): 5.07
ACD/BCF (pH 5.5): 4182.44
ACD/KOC (pH 5.5): 13608.58
ACD/LogD (pH 7.4): 5.07
ACD/BCF (pH 7.4): 4182.44
ACD/KOC (pH 7.4): 13608.58
Polar Surface Area: 93 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 411.5±3.0 cm3

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