ChemSpider 2D Image | 4-Isoquinolinyl[4-(pentyloxy)phenyl]methanone | C21H21NO2

4-Isoquinolinyl[4-(pentyloxy)phenyl]methanone

  • Molecular FormulaC21H21NO2
  • Average mass319.397 Da
  • Monoisotopic mass319.157227 Da
  • ChemSpider ID27525431

More details:

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

1187171-67-0 [RN]
4-Isochinolinyl[4-(pentyloxy)phenyl]methanon [German] [ACD/IUPAC Name]
4-Isoquinoléinyl[4-(pentyloxy)phényl]méthanone [French] [ACD/IUPAC Name]
4-Isoquinolinyl[4-(pentyloxy)phenyl]methanone [ACD/IUPAC Name]
Isoquinolin-4-yl(4-(pentyloxy)phenyl)methanone
Methanone, 4-isoquinolinyl[4-(pentyloxy)phenyl]- [ACD/Index Name]
4-(4-Pentyloxybenzoyl)isoquinoline
4-[4-(PENTYLOXY)BENZOYL]ISOQUINOLINE
isoquinolin-4-yl-(4-pentoxyphenyl)methanone
MFCD13153048 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 500.7±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.9±3.0 kJ/mol
Flash Point: 256.6±24.6 °C
Index of Refraction: 1.598
Molar Refractivity: 97.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.29
ACD/LogD (pH 5.5): 5.30
ACD/BCF (pH 5.5): 6330.97
ACD/KOC (pH 5.5): 18291.21
ACD/LogD (pH 7.4): 5.31
ACD/BCF (pH 7.4): 6353.37
ACD/KOC (pH 7.4): 18355.93
Polar Surface Area: 39 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 284.9±3.0 cm3

Click to predict properties on the Chemicalize site


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