ChemSpider 2D Image | 6-Chloro-1'-[3-(4-isopropylphenyl)propanoyl]-5,7-dimethylspiro[chromene-2,4'-piperidin]-4(3H)-one | C27H32ClNO3

6-Chloro-1'-[3-(4-isopropylphenyl)propanoyl]-5,7-dimethylspiro[chromene-2,4'-piperidin]-4(3H)-one

  • Molecular FormulaC27H32ClNO3
  • Average mass454.001 Da
  • Monoisotopic mass453.207062 Da
  • ChemSpider ID67666408

More details:

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

6-Chlor-1'-[3-(4-isopropylphenyl)propanoyl]-5,7-dimethylspiro[chromene-2,4'-piperidin]-4(3H)-on [German] [ACD/IUPAC Name]
6-Chloro-1'-[3-(4-isopropylphenyl)propanoyl]-5,7-dimethylspiro[chromene-2,4'-piperidin]-4(3H)-one [ACD/IUPAC Name]
6-Chloro-1'-[3-(4-isopropylphényl)propanoyl]-5,7-diméthylspiro[chromene-2,4'-piperidin]-4(3H)-one [French] [ACD/IUPAC Name]
Spiro[2H-1-benzopyran-2,4'-piperidin]-4(3H)-one, 6-chloro-5,7-dimethyl-1'-[3-[4-(1-methylethyl)phenyl]-1-oxopropyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 637.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.2±3.0 kJ/mol
Flash Point: 339.3±31.5 °C
Index of Refraction: 1.599
Molar Refractivity: 127.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.52
ACD/LogD (pH 5.5): 6.75
ACD/BCF (pH 5.5): 79117.23
ACD/KOC (pH 5.5): 111625.23
ACD/LogD (pH 7.4): 6.75
ACD/BCF (pH 7.4): 79117.41
ACD/KOC (pH 7.4): 111625.48
Polar Surface Area: 47 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 51.8±5.0 dyne/cm
Molar Volume: 373.1±5.0 cm3

Click to predict properties on the Chemicalize site


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