ChemSpider 2D Image | 3-[3-(4'-Bromo-4-biphenylyl)-3-hydroxy-1-phenylpropyl]-2-hydroxy-4H-chromen-4-one | C30H23BrO4

3-[3-(4'-Bromo-4-biphenylyl)-3-hydroxy-1-phenylpropyl]-2-hydroxy-4H-chromen-4-one

  • Molecular FormulaC30H23BrO4
  • Average mass527.405 Da
  • Monoisotopic mass526.077942 Da
  • ChemSpider ID31618

More details:

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

3-[3-(4'-Brom-4-biphenylyl)-3-hydroxy-1-phenylpropyl]-2-hydroxy-4H-chromen-4-on [German] [ACD/IUPAC Name]
3-[3-(4'-Bromo-4-biphenylyl)-3-hydroxy-1-phenylpropyl]-2-hydroxy-4H-chromen-4-one [ACD/IUPAC Name]
3-[3-(4'-Bromo-4-biphénylyl)-3-hydroxy-1-phénylpropyl]-2-hydroxy-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[3-(4'-bromo[1,1'-biphenyl]-4-yl)-3-hydroxy-1-phenylpropyl]-2-hydroxy- [ACD/Index Name]
2H-1-Benzopyran-2-one, 3-(3-(4'-Bromo(1,1'-biphenyl)-4-yl)-3-hydroxy-1-phenylpropyl)-4-hydroxy-
3-(3-(4'-Bromo(1,1'-biphenyl)-4-yl)-3-hydroxy-1-phenylpropyl)-4-hydroxy-2-benzopyrone
3-(3-(4'-Bromo(1,1'-biphenyl)-4-yl)-3-hydroxy-1-phenylpropyl)-4-hydroxy-2H-1-benzopyran-2-one
3-(3-(4'-Bromo-(1,1'-biphenyl)-4-yl)-3-hydroxy-1-phenylpropyl)-4-hydroxycoumarin
3-(3-(4'-Bromobiphenyl-4-yl)-3-hydroxy-1-phenylpropyl)-4-hydroxycoumarin
3-(4-Hydroxy-2-oxochromen-3-yl)-3-phenyl-1-(4-bromobiphenyl)propan-1-ol
More...

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

BRN 1335336 [DBID]
Caswell No. 486AB [DBID]
EPA Pesticide Chemical Code 112001 [DBID]
HSDB 6458 [DBID]
LM-637 [DBID]
  • Miscellaneous

    • Toxicity:

      Organic Compound; Aromatic Hydrocarbon; Pesticide; Organobromide; Ester; Bromide Compound; Synthetic Compound Toxin, Toxin-Target Database T3D3102

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

Density: 1.5±0.1 g/cm3
Boiling Point: 687.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.8±3.0 kJ/mol
Flash Point: 369.3±31.5 °C
Index of Refraction: 1.687
Molar Refractivity: 138.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 7.13
ACD/LogD (pH 5.5): 5.00
ACD/BCF (pH 5.5): 2106.35
ACD/KOC (pH 5.5): 4216.92
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 36.33
ACD/KOC (pH 7.4): 72.74
Polar Surface Area: 67 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 62.4±3.0 dyne/cm
Molar Volume: 362.6±3.0 cm3

Click to predict properties on the Chemicalize site


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