ChemSpider 2D Image | 4-[1-(4-Hydroxy-5-isopropyl-2-methylphenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-2-isopropyl-5-methylphenyl 3-methylbenzoate | C36H36O5

4-[1-(4-Hydroxy-5-isopropyl-2-methylphenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-2-isopropyl-5-methylphenyl 3-methylbenzoate

  • Molecular FormulaC36H36O5
  • Average mass548.668 Da
  • Monoisotopic mass548.256287 Da
  • ChemSpider ID5043204

More details:

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

3-Méthylbenzoate de 4-[1-(4-hydroxy-5-isopropyl-2-méthylphényl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-2-isopropyl-5-méthylphényle [French] [ACD/IUPAC Name]
4-[1-(4-Hydroxy-5-isopropyl-2-methylphenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-2-isopropyl-5-methylphenyl 3-methylbenzoate [ACD/IUPAC Name]
4-[1-(4-Hydroxy-5-isopropyl-2-methylphenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-2-isopropyl-5-methylphenyl-3-methylbenzoat [German] [ACD/IUPAC Name]
Benzoic acid, 3-methyl-, 4-[1,3-dihydro-1-[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-3-oxo-1-isobenzofuranyl]-5-methyl-2-(1-methylethyl)phenyl ester [ACD/Index Name]

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

CBDivE_003881 [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: 680.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 212.8±25.0 °C
Index of Refraction: 1.610
Molar Refractivity: 160.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 8.80
ACD/LogD (pH 5.5): 8.14
ACD/BCF (pH 5.5): 908032.25
ACD/KOC (pH 5.5): 640288.19
ACD/LogD (pH 7.4): 8.14
ACD/BCF (pH 7.4): 906637.56
ACD/KOC (pH 7.4): 639304.75
Polar Surface Area: 73 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 48.3±3.0 dyne/cm
Molar Volume: 463.7±3.0 cm3

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