Guaiacol hydrochlorideProduct ingredient for Guaiacol
- Name
- Guaiacol hydrochloride
- Drug Entry
- Guaiacol
Guaiacol is an agent thought to have disinfectant properties and used as an expectorant. Guaiacol is a phenolic natural product first isolated from Guaiac resin and the oxidation of lignin. Guaiacol is also present in wood smoke, as a product of pyrolysis of lignin. Guaiacol has been found in the urine of patients with neuroblastoma and pheochromocytoma.
- Accession Number
- DBSALT001965
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS Number
- Not Available
- Weight
- Average: 160.6
Monoisotopic: 160.0291072 - Chemical Formula
- C7H9ClO2
- InChI Key
- AXHWIVKRWPJSOF-UHFFFAOYSA-N
- InChI
- InChI=1S/C7H8O2.ClH/c1-9-7-5-3-2-4-6(7)8;/h2-5,8H,1H3;1H
- IUPAC Name
- 2-methoxyphenol hydrochloride
- SMILES
- Cl.COC1=C(O)C=CC=C1
- External Links
- ChemSpider
- 23281696
- ChEMBL
- CHEMBL224145
- Predicted Properties
Property Value Source Water Solubility 67.4 mg/mL ALOGPS logP 1.32 ALOGPS logP 1.51 Chemaxon logS -0.27 ALOGPS pKa (Strongest Acidic) 9.98 Chemaxon pKa (Strongest Basic) -4.9 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 29.46 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 34.5 m3·mol-1 Chemaxon Polarizability 12.68 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon