(2,6-DIMETHYL-PHENOXY)-ACETIC ACID

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.

Phenoxyacetic acid derivatives

Organic compounds

Benzenoids

Benzene and substituted derivatives

Phenoxyacetic acid derivatives

Calculated Property

kind Value Source
logP 2.07 ALOGPS
logS -2.2 ALOGPS
Water Solubility 1.17e+00 g/l ALOGPS
logP 2.32 ChemAxon
IUPAC Name 2-(2,6-dimethylphenoxy)acetic acid ChemAxon
Traditional IUPAC Name 2,6-dimethylphenoxyacetic acid ChemAxon
Molecular Weight 180.2005 ChemAxon
Monoisotopic Weight 180.07864425 ChemAxon
SMILES CC1=CC=CC(C)=C1OCC(O)=O ChemAxon
Molecular Formula C10H12O3 ChemAxon
InChI InChI=1S/C10H12O3/c1-7-4-3-5-8(2)10(7)13-6-9(11)12/h3-5H,6H2,1-2H3,(H,11,12) ChemAxon
InChIKey InChIKey=MLBCURLNKYKBEQ-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 46.53 ChemAxon
Refractivity 48.69 ChemAxon
Polarizability 18.84 ChemAxon
Rotatable Bond Count 3 ChemAxon
H Bond Acceptor Count 3 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest acidic) 4.04 ChemAxon
pKa (strongest basic) -4.9 ChemAxon
Physiological Charge -1 ChemAxon
Number of Rings 1 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Gag-Pol polyprotein : in HIV-2