ChemSpider 2D Image | compound 4ff [PMID: 1656041] | C24H29FO4

compound 4ff [PMID: 1656041]

  • Molecular FormulaC24H29FO4
  • Average mass400.483 Da
  • Monoisotopic mass400.204987 Da
  • ChemSpider ID23187614

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(4R)-6-({[4'-fluoro-3,5-di(propan-2-yl)biphenyl-2-yl]oxy}methyl)-4-hydroxytetrahydro-2H-pyran-2-one (non-preferred name)
(4R)-6-{[(4'-Fluor-3,5-diisopropyl-2-biphenylyl)oxy]methyl}-4-hydroxytetrahydro-2H-pyran-2-on [German] [ACD/IUPAC Name]
(4R)-6-{[(4'-Fluoro-3,5-diisopropyl-2-biphenylyl)oxy]methyl}-4-hydroxytetrahydro-2H-pyran-2-one [ACD/IUPAC Name]
(4R)-6-{[(4'-Fluoro-3,5-diisopropyl-2-biphénylyl)oxy]méthyl}-4-hydroxytétrahydro-2H-pyran-2-one [French] [ACD/IUPAC Name]
compound 4ff [PMID: 1656041]
(4R)-6-[2-(4-fluorophenyl)-4,6-bis(propan-2-yl)phenoxymethyl]-4-hydroxyoxan-2-one
6-(4'-Fluoro-3,5-diisopropyl-biphenyl-2-yloxymethyl)-4-hydroxy-tetrahydro-pyran-2-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL318707/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 544.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.6±3.0 kJ/mol
Flash Point: 283.1±30.1 °C
Index of Refraction: 1.543
Molar Refractivity: 110.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.39
ACD/LogD (pH 5.5): 3.97
ACD/BCF (pH 5.5): 610.48
ACD/KOC (pH 5.5): 3432.32
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 610.48
ACD/KOC (pH 7.4): 3432.32
Polar Surface Area: 56 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 350.1±3.0 cm3

Click to predict properties on the Chemicalize site


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