ChemSpider 2D Image | (1R)-2-Chloro-1,4,7-trihydroxy-3,9-dimethoxy-1-methyl-1,4-dihydro-6H-benzo[c]chromen-6-one | C16H15ClO7

(1R)-2-Chloro-1,4,7-trihydroxy-3,9-dimethoxy-1-methyl-1,4-dihydro-6H-benzo[c]chromen-6-one

  • Molecular FormulaC16H15ClO7
  • Average mass354.739 Da
  • Monoisotopic mass354.050629 Da
  • ChemSpider ID40256869

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(1R)-2-Chlor-1,4,7-trihydroxy-3,9-dimethoxy-1-methyl-1,4-dihydro-6H-benzo[c]chromen-6-on [German] [ACD/IUPAC Name]
(1R)-2-Chloro-1,4,7-trihydroxy-3,9-dimethoxy-1-methyl-1,4-dihydro-6H-benzo[c]chromen-6-one [ACD/IUPAC Name]
(1R)-2-Chloro-1,4,7-trihydroxy-3,9-diméthoxy-1-méthyl-1,4-dihydro-6H-benzo[c]chromén-6-one [French] [ACD/IUPAC Name]
6H-Dibenzo[b,d]pyran-6-one, 2-chloro-1,4-dihydro-1,4,7-trihydroxy-3,9-dimethoxy-1-methyl-, (1R)- [ACD/Index Name]
Rhizopycnin A

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

Density: 1.6±0.1 g/cm3
Boiling Point: 656.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 350.7±31.5 °C
Index of Refraction: 1.669
Molar Refractivity: 82.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.91
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 149.88
ACD/KOC (pH 5.5): 1241.97
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 37.10
ACD/KOC (pH 7.4): 307.40
Polar Surface Area: 105 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 74.6±5.0 dyne/cm
Molar Volume: 221.4±5.0 cm3

Click to predict properties on the Chemicalize site


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