ChemSpider 2D Image | 7-(4-Chlorobenzyl)-2,3-dihydroxy-4-isopropyl-6-methyl-1-naphthoic acid | C22H21ClO4

7-(4-Chlorobenzyl)-2,3-dihydroxy-4-isopropyl-6-methyl-1-naphthoic acid

  • Molecular FormulaC22H21ClO4
  • Average mass384.853 Da
  • Monoisotopic mass384.112823 Da
  • ChemSpider ID13690122

More details:

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

1-Naphthalenecarboxylic acid, 7-[(4-chlorophenyl)methyl]-2,3-dihydroxy-6-methyl-4-(1-methylethyl)- [ACD/Index Name]
7-(4-Chlorbenzyl)-2,3-dihydroxy-4-isopropyl-6-methyl-1-naphthoesäure [German] [ACD/IUPAC Name]
7-(4-Chlorobenzyl)-2,3-dihydroxy-4-isopropyl-6-methyl-1-naphthoic acid [ACD/IUPAC Name]
Acide 7-(4-chlorobenzyl)-2,3-dihydroxy-4-isopropyl-6-méthyl-1-naphtoïque [French] [ACD/IUPAC Name]

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

Density: 1.3±0.0 g/cm3
Boiling Point: 586.1±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 92.1±0.0 kJ/mol
Flash Point: 308.3±0.0 °C
Index of Refraction: 1.665
Molar Refractivity: 108.0±0.0 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.41
ACD/LogD (pH 5.5): 5.05
ACD/BCF (pH 5.5): 1087.56
ACD/KOC (pH 5.5): 1102.63
ACD/LogD (pH 7.4): 4.29
ACD/BCF (pH 7.4): 189.13
ACD/KOC (pH 7.4): 191.75
Polar Surface Area: 78 Å2
Polarizability: 42.8±0.0 10-24cm3
Surface Tension: 58.2±0.0 dyne/cm
Molar Volume: 290.6±0.0 cm3

Click to predict properties on the Chemicalize site


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