ChemSpider 2D Image | (2R)-7-{3-[2-Chloro-4-(cyclopropylmethoxy)phenoxy]propoxy}-2-methyl-2-chromanecarboxylic acid | C24H27ClO6

(2R)-7-{3-[2-Chloro-4-(cyclopropylmethoxy)phenoxy]propoxy}-2-methyl-2-chromanecarboxylic acid

  • Molecular FormulaC24H27ClO6
  • Average mass446.921 Da
  • Monoisotopic mass446.149628 Da
  • ChemSpider ID23244737

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-7-{3-[2-Chlor-4-(cyclopropylmethoxy)phenoxy]propoxy}-2-methyl-2-chromancarbonsäure [German] [ACD/IUPAC Name]
(2R)-7-{3-[2-Chloro-4-(cyclopropylmethoxy)phenoxy]propoxy}-2-methyl-2-chromanecarboxylic acid [ACD/IUPAC Name]
(2R)-7-{3-[2-chloro-4-(cyclopropylmethoxy)phenoxy]propoxy}-2-methyl-3,4-dihydro-2H-chromene-2-carboxylic acid
2H-1-Benzopyran-2-carboxylic acid, 7-[3-[2-chloro-4-(cyclopropylmethoxy)phenoxy]propoxy]-3,4-dihydro-2-methyl-, (2R)- [ACD/Index Name]
Acide (2R)-7-{3-[2-chloro-4-(cyclopropylméthoxy)phénoxy]propoxy}-2-méthyl-2-chromanecarboxylique [French] [ACD/IUPAC Name]
(R)-7-[3-(2-Chloro-4-cyclopropylmethoxy-phenoxy)-propoxy]-2-methyl-chroman-2-carboxylic acid
CHEMBL178513

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

Density: 1.3±0.1 g/cm3
Boiling Point: 614.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.9±3.0 kJ/mol
Flash Point: 325.6±31.5 °C
Index of Refraction: 1.582
Molar Refractivity: 116.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.01
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 28.95
ACD/KOC (pH 5.5): 83.99
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 1.47
ACD/KOC (pH 7.4): 4.25
Polar Surface Area: 74 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 50.4±3.0 dyne/cm
Molar Volume: 348.6±3.0 cm3

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