ChemSpider 2D Image | [4-(4-Hydroxy-3-isopropylphenoxy)-3,5-dimethylbenzyl]phosphonic acid | C18H23O5P

[4-(4-Hydroxy-3-isopropylphenoxy)-3,5-dimethylbenzyl]phosphonic acid

  • Molecular FormulaC18H23O5P
  • Average mass350.346 Da
  • Monoisotopic mass350.128296 Da
  • ChemSpider ID24702747

More details:

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

[4-(4-Hydroxy-3-isopropylphenoxy)-3,5-dimethylbenzyl]phosphonic acid [ACD/IUPAC Name]
[4-(4-Hydroxy-3-isopropylphenoxy)-3,5-dimethylbenzyl]phosphonsäure [German] [ACD/IUPAC Name]
Acide [4-(4-hydroxy-3-isopropylphénoxy)-3,5-diméthylbenzyl]phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [[4-[4-hydroxy-3-(1-methylethyl)phenoxy]-3,5-dimethylphenyl]methyl]- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL486158/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 531.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.0±3.0 kJ/mol
Flash Point: 275.3±32.9 °C
Index of Refraction: 1.590
Molar Refractivity: 93.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.15
ACD/LogD (pH 5.5): -1.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 97 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 53.0±3.0 dyne/cm
Molar Volume: 276.5±3.0 cm3

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