Guaiacol carbonateProduct ingredient for Guaiacol
- Name
- Guaiacol carbonate
- 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
- DBSALT001966
- Structure
Structure for Guaiacol carbonate (DBSALT001966)
- Synonyms
- Bis-o-methoxyphenyl carbonate / Di-o-methoxyphenyl carbonate
- External IDs
- NSC 37138
- UNII
- Q71XPQ6R29
- CAS Number
- 553-17-3
- Weight
- Average: 274.272
Monoisotopic: 274.084123551 - Chemical Formula
- C15H14O5
- InChI Key
- ORUJFMPWKPVXLZ-UHFFFAOYSA-N
- InChI
- InChI=1S/C15H14O5/c1-17-11-7-3-5-9-13(11)19-15(16)20-14-10-6-4-8-12(14)18-2/h3-10H,1-2H3
- IUPAC Name
- bis(2-methoxyphenyl) carbonate
- SMILES
- COC1=CC=CC=C1OC(=O)OC1=CC=CC=C1OC
- External Links
- ChemSpider
- 10633
- ChEBI
- 135131
- ChEMBL
- CHEMBL1898058
- ZINC
- ZINC000000000350
- Predicted Properties
Property Value Source Water Solubility 0.0219 mg/mL ALOGPS logP 3.29 ALOGPS logP 3.54 Chemaxon logS -4.1 ALOGPS pKa (Strongest Basic) -4.6 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 53.99 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 71.52 m3·mol-1 Chemaxon Polarizability 27.73 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon