ChemSpider 2D Image | (±)-peniphenone E | C16H16O8

(±)-peniphenone E

  • Molecular FormulaC16H16O8
  • Average mass336.293 Da
  • Monoisotopic mass336.084503 Da
  • ChemSpider ID23550470

More details:

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

(±)-peniphenone E
[4-(3-Acetyl-2,6-dihydroxy-5-methylbenzyl)-3-hydroxy-5-oxo-2,5-dihydro-2-furanyl]acetic acid [ACD/IUPAC Name]
[4-(3-Acetyl-2,6-dihydroxy-5-methylbenzyl)-3-hydroxy-5-oxo-2,5-dihydro-2-furanyl]essigsäure [German] [ACD/IUPAC Name]
2-Furanacetic acid, 4-[(3-acetyl-2,6-dihydroxy-5-methylphenyl)methyl]-2,5-dihydro-3-hydroxy-5-oxo- [ACD/Index Name]
Acide [4-(3-acétyl-2,6-dihydroxy-5-méthylbenzyl)-3-hydroxy-5-oxo-2,5-dihydro-2-furanyl]acétique [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4475663/

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

Density: 1.5±0.0 g/cm3
Boiling Point: 691.2±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 106.4±0.0 kJ/mol
Flash Point: 257.8±0.0 °C
Index of Refraction: 1.657
Molar Refractivity: 80.0±0.0 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.97
ACD/LogD (pH 5.5): -2.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 141 Å2
Polarizability: 31.7±0.0 10-24cm3
Surface Tension: 79.3±0.0 dyne/cm
Molar Volume: 217.7±0.0 cm3

Click to predict properties on the Chemicalize site


Advertisement