ChemSpider 2D Image | 4-(2-Methyl-2-propanyl)-2-[(3S)-5-(2-methyl-2-propanyl)-2-oxo-2,3-dihydro-1-benzofuran-3-yl]phenyl 4-hydroxy-3,5-bis(2-methyl-2-propanyl)benzoate | C37H46O5

4-(2-Methyl-2-propanyl)-2-[(3S)-5-(2-methyl-2-propanyl)-2-oxo-2,3-dihydro-1-benzofuran-3-yl]phenyl 4-hydroxy-3,5-bis(2-methyl-2-propanyl)benzoate

  • Molecular FormulaC37H46O5
  • Average mass570.758 Da
  • Monoisotopic mass570.334534 Da
  • ChemSpider ID34983693

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-(2-Methyl-2-propanyl)-2-[(3S)-5-(2-methyl-2-propanyl)-2-oxo-2,3-dihydro-1-benzofuran-3-yl]phenyl 4-hydroxy-3,5-bis(2-methyl-2-propanyl)benzoate [ACD/IUPAC Name]
4-(2-Methyl-2-propanyl)-2-[(3S)-5-(2-methyl-2-propanyl)-2-oxo-2,3-dihydro-1-benzofuran-3-yl]phenyl-4-hydroxy-3,5-bis(2-methyl-2-propanyl)benzoat [German] [ACD/IUPAC Name]
4-Hydroxy-3,5-bis(2-méthyl-2-propanyl)benzoate de 4-(2-méthyl-2-propanyl)-2-[(3S)-5-(2-méthyl-2-propanyl)-2-oxo-2,3-dihydro-1-benzofuran-3-yl]phényle [French] [ACD/IUPAC Name]
Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 4-(1,1-dimethylethyl)-2-[(3S)-5-(1,1-dimethylethyl)-2,3-dihydro-2-oxo-3-benzofuranyl]phenyl ester [ACD/Index Name]
1261240-30-5 [RN]
4-TERT-BUTYL-2-(5-TERT-BUTYL-2-OXO-3H-BENZOFURAN-3-YL)PHENYL-3,5-DI-TERT-BUTYL-4-HYDROXYBENZOATE
UNII-0BEZ0ZZC20

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

Density: 1.1±0.1 g/cm3
Boiling Point: 626.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.2±3.0 kJ/mol
Flash Point: 185.8±25.0 °C
Index of Refraction: 1.557
Molar Refractivity: 167.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 10.50
ACD/LogD (pH 5.5): 9.73
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4681323.50
ACD/LogD (pH 7.4): 9.70
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4389982.00
Polar Surface Area: 73 Å2
Polarizability: 66.2±0.5 10-24cm3
Surface Tension: 42.1±3.0 dyne/cm
Molar Volume: 518.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement