2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN-2-YLMETHYL)PHENOL

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.

Diphenylethers

Organic compounds

Benzenoids

Benzene and substituted derivatives

Diphenylethers

Calculated Property

kind Value Source
logP 5.69 ALOGPS
logS -4.8 ALOGPS
Water Solubility 5.24e-03 g/l ALOGPS
logP 5.13 ChemAxon
IUPAC Name 2-(2,4-dichlorophenoxy)-5-(pyridin-2-ylmethyl)phenol ChemAxon
Traditional IUPAC Name 2-(2,4-dichlorophenoxy)-5-(pyridin-2-ylmethyl)phenol ChemAxon
Molecular Weight 346.207 ChemAxon
Monoisotopic Weight 345.032334079 ChemAxon
SMILES OC1=CC(CC2=CC=CC=N2)=CC=C1OC1=CC=C(Cl)C=C1Cl ChemAxon
Molecular Formula C18H13Cl2NO2 ChemAxon
InChI InChI=1S/C18H13Cl2NO2/c19-13-5-7-17(15(20)11-13)23-18-6-4-12(10-16(18)22)9-14-3-1-2-8-21-14/h1-8,10-11,22H,9H2 ChemAxon
InChIKey InChIKey=AOVDSWPGWPRTSR-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 42.35 ChemAxon
Refractivity 91.05 ChemAxon
Polarizability 34.13 ChemAxon
Rotatable Bond Count 4 ChemAxon
H Bond Acceptor Count 2 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest acidic) 8.41 ChemAxon
pKa (strongest basic) 4.86 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 3 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 0 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Enoyl-[acyl-carrier-protein] reductase [NADH] : in Mycobacterium tuberculosis