Found 1 result

Search term: 78435769 (Found by CSID)
ChemSpider 2D Image | 1-{4-[3-Hydroxy-5-(hydroxymethyl)phenoxy]-2-methoxy-6-methylphenyl}-3-methyl-3-buten-2-one | C20H22O5

1-{4-[3-Hydroxy-5-(hydroxymethyl)phenoxy]-2-methoxy-6-methylphenyl}-3-methyl-3-buten-2-one

  • Molecular FormulaC20H22O5
  • Average mass342.386 Da
  • Monoisotopic mass342.146729 Da
  • ChemSpider ID78435769

More details:

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

1-{4-[3-Hydroxy-5-(hydroxymethyl)phenoxy]-2-methoxy-6-methylphenyl}-3-methyl-3-buten-2-on [German] [ACD/IUPAC Name]
1-{4-[3-Hydroxy-5-(hydroxymethyl)phenoxy]-2-methoxy-6-methylphenyl}-3-methyl-3-buten-2-one [ACD/IUPAC Name]
1-{4-[3-Hydroxy-5-(hydroxyméthyl)phénoxy]-2-méthoxy-6-méthylphényl}-3-méthyl-3-butén-2-one [French] [ACD/IUPAC Name]
3-Buten-2-one, 1-[4-[3-hydroxy-5-(hydroxymethyl)phenoxy]-2-methoxy-6-methylphenyl]-3-methyl- [ACD/Index Name]
1-(4-(3-hydroxy-5-(hydroxymethyl)phenoxy)-2-methoxy-6-methylphenyl)-3-methylbut-3-en-2-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 542.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.3±3.0 kJ/mol
Flash Point: 191.7±23.6 °C
Index of Refraction: 1.581
Molar Refractivity: 95.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.29
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 155.55
ACD/KOC (pH 5.5): 1289.80
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 153.30
ACD/KOC (pH 7.4): 1271.20
Polar Surface Area: 76 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 286.9±3.0 cm3

Click to predict properties on the Chemicalize site


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