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Search term: DATA_SOURCE in ('Dr. Parvinder Pal Singh, Medicinal Chemistry Division, CSIR-Indian Institute of Integrative Medicine')

ChemSpider 2D Image | 1-[2-Hydroxy-4,6-dimethoxy-3-(1-methyl-4-piperidinyl)phenyl]ethanone | C16H23NO4

1-[2-Hydroxy-4,6-dimethoxy-3-(1-methyl-4-piperidinyl)phenyl]ethanone

  • Molecular FormulaC16H23NO4
  • Average mass293.358 Da
  • Monoisotopic mass293.162720 Da
  • ChemSpider ID29786042

More details:






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

1-[2-Hydroxy-4,6-dimethoxy-3-(1-methyl-4-piperidinyl)phenyl]ethanon [German] [ACD/IUPAC Name]
1-[2-Hydroxy-4,6-dimethoxy-3-(1-methyl-4-piperidinyl)phenyl]ethanone [ACD/IUPAC Name]
1-[2-Hydroxy-4,6-diméthoxy-3-(1-méthyl-4-pipéridinyl)phényl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[2-hydroxy-4,6-dimethoxy-3-(1-methyl-4-piperidinyl)phenyl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 397.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.3±3.0 kJ/mol
Flash Point: 194.1±27.9 °C
Index of Refraction: 1.537
Molar Refractivity: 81.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.56
ACD/LogD (pH 5.5): -0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.15
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 4.13
ACD/KOC (pH 7.4): 43.01
Polar Surface Area: 59 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 40.4±3.0 dyne/cm
Molar Volume: 259.7±3.0 cm3

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