ChemSpider 2D Image | 6-Chloro-5-hydroxy-4-(3-hydroxy-1-propen-2-yl)-2,2,7-trimethyl-1-indanone | C15H17ClO3

6-Chloro-5-hydroxy-4-(3-hydroxy-1-propen-2-yl)-2,2,7-trimethyl-1-indanone

  • Molecular FormulaC15H17ClO3
  • Average mass280.747 Da
  • Monoisotopic mass280.086609 Da
  • ChemSpider ID78436072

More details:

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

1H-Inden-1-one, 6-chloro-2,3-dihydro-5-hydroxy-4-[1-(hydroxymethyl)ethenyl]-2,2,7-trimethyl- [ACD/Index Name]
6-Chlor-5-hydroxy-4-(3-hydroxy-1-propen-2-yl)-2,2,7-trimethyl-1-indanon [German] [ACD/IUPAC Name]
6-Chloro-5-hydroxy-4-(3-hydroxy-1-propen-2-yl)-2,2,7-trimethyl-1-indanone [ACD/IUPAC Name]
6-Chloro-5-hydroxy-4-(3-hydroxy-1-propén-2-yl)-2,2,7-triméthyl-1-indanone [French] [ACD/IUPAC Name]
Lepistatin A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 482.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.8±3.0 kJ/mol
Flash Point: 245.7±28.7 °C
Index of Refraction: 1.588
Molar Refractivity: 75.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.44
ACD/LogD (pH 5.5): 4.13
ACD/BCF (pH 5.5): 797.20
ACD/KOC (pH 5.5): 4080.47
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 137.36
ACD/KOC (pH 7.4): 703.10
Polar Surface Area: 58 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 223.4±3.0 cm3

Click to predict properties on the Chemicalize site


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