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Search term: DATA_SOURCE in ('DISMA, Department of Agri-Food Molecular Sciences, University of Milano, Italy')
ChemSpider 2D Image | 3-[4-(Benzyloxy)phenyl]-2H-chromen-2-one | C22H16O3

3-[4-(Benzyloxy)phenyl]-2H-chromen-2-one

  • Molecular FormulaC22H16O3
  • Average mass328.361 Da
  • Monoisotopic mass328.109955 Da
  • ChemSpider ID26287012

More details:

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

2H-1-Benzopyran-2-one, 3-[4-(phenylmethoxy)phenyl]- [ACD/Index Name]
3-[4-(Benzyloxy)phenyl]-2H-chromen-2-on [German] [ACD/IUPAC Name]
3-[4-(Benzyloxy)phenyl]-2H-chromen-2-one [ACD/IUPAC Name]
3-[4-(Benzyloxy)phényl]-2H-chromén-2-one [French] [ACD/IUPAC Name]
100297-82-3 [RN]
3-(4-benzyloxyphenyl)chromen-2-one
3-(4-benzyloxyphenyl)coumarin
3-[4-(Benzyloxy)phenyl]-2H-1-benzopyran-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: 529.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.4±3.0 kJ/mol
Flash Point: 230.2±24.7 °C
Index of Refraction: 1.642
Molar Refractivity: 95.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.64
ACD/LogD (pH 5.5): 4.82
ACD/BCF (pH 5.5): 2703.58
ACD/KOC (pH 5.5): 9958.13
ACD/LogD (pH 7.4): 4.82
ACD/BCF (pH 7.4): 2703.58
ACD/KOC (pH 7.4): 9958.13
Polar Surface Area: 36 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 51.8±3.0 dyne/cm
Molar Volume: 264.0±3.0 cm3

Click to predict properties on the Chemicalize site


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