2-((3′,5′-DIMETHYL-4′-HYDROXYPHENYL)AZO)BENZOIC ACID

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as azobenzenes. These are organonitrogen aromatic compounds that contain a central azo group, where each nitrogen atom is conjugated to a bezene ring.

Azobenzenes

Organic compounds

Organoheterocyclic compounds

Azobenzenes

Calculated Property

kind Value Source
logP 3.87 ALOGPS
logS -3.9 ALOGPS
Water Solubility 3.86e-02 g/l ALOGPS
logP 4.76 ChemAxon
IUPAC Name 2-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)diazen-1-yl]benzoic acid ChemAxon
Traditional IUPAC Name 2-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)diazen-1-yl]benzoic acid ChemAxon
Molecular Weight 270.2833 ChemAxon
Monoisotopic Weight 270.100442324 ChemAxon
SMILES CC1=CC(=CC(C)=C1O)N=NC1=CC=CC=C1C(O)=O ChemAxon
Molecular Formula C15H14N2O3 ChemAxon
InChI InChI=1S/C15H14N2O3/c1-9-7-11(8-10(2)14(9)18)16-17-13-6-4-3-5-12(13)15(19)20/h3-8,18H,1-2H3,(H,19,20)/b17-16+ ChemAxon
InChIKey InChIKey=ZMDQWZFZPGJFPM-WUKNDPDISA-N ChemAxon
Polar Surface Area (PSA) 82.25 ChemAxon
Refractivity 79.7 ChemAxon
Polarizability 28.63 ChemAxon
Rotatable Bond Count 3 ChemAxon
H Bond Acceptor Count 5 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 3.36 ChemAxon
pKa (strongest basic) 0.42 ChemAxon
Physiological Charge -1 ChemAxon
Number of Rings 2 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Streptavidin : in Streptomyces avidinii