ChemSpider 2D Image | 3-[1-(4-bromo-phenyl)-2-methyl-propyl]-4-hydroxy-chromen-2-one | C19H17BrO3

3-[1-(4-bromo-phenyl)-2-methyl-propyl]-4-hydroxy-chromen-2-one

  • Molecular FormulaC19H17BrO3
  • Average mass373.241 Da
  • Monoisotopic mass372.036102 Da
  • ChemSpider ID25058273
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

2H-1-Benzopyran-2-one, 3-[(1S)-1-(4-bromophenyl)-2-methylpropyl]-4-hydroxy- [ACD/Index Name]
3-[(1S)-1-(4-Bromophenyl)-2-methylpropyl]-4-hydroxy-2H-chromen-2-one [ACD/IUPAC Name]
3-[(1S)-1-(4-Bromophényl)-2-méthylpropyl]-4-hydroxy-2H-chromén-2-one [French] [ACD/IUPAC Name]
3-[(1S)-1-(4-Bromphenyl)-2-methylpropyl]-4-hydroxy-2H-chromen-2-on [German] [ACD/IUPAC Name]
3-[1-(4-bromo-phenyl)-2-methyl-propyl]-4-hydroxy-chromen-2-one
3-[(1S)-1-(4-bromophenyl)-2-methylpropyl]-4-hydroxychromen-2-one
U01

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 519.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.5±3.0 kJ/mol
Flash Point: 268.2±30.1 °C
Index of Refraction: 1.641
Molar Refractivity: 92.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.89
ACD/LogD (pH 5.5): 4.40
ACD/BCF (pH 5.5): 726.26
ACD/KOC (pH 5.5): 1967.83
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 12.53
ACD/KOC (pH 7.4): 33.95
Polar Surface Area: 47 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 55.4±3.0 dyne/cm
Molar Volume: 255.2±3.0 cm3

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