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
ChemSpider
23281696
ChEMBL
CHEMBL224145
Predicted Properties
PropertyValueSource
Water Solubility67.4 mg/mLALOGPS
logP1.32ALOGPS
logP1.51Chemaxon
logS-0.27ALOGPS
pKa (Strongest Acidic)9.98Chemaxon
pKa (Strongest Basic)-4.9Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area29.46 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity34.5 m3·mol-1Chemaxon
Polarizability12.68 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon