Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 09:09:22 UTC
Update Date2022-08-31 06:44:48 UTC
Metabolite IDMMDBc0019026
Metabolite Identification
Common Name2',4'-dihydroxy-3'-methoxymethyl-5'-methylacetophenone
Description2',4'-Dihydroxy-3'-methoxymethyl-5'-methylacetophenone belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. 2',4'-Dihydroxy-3'-methoxymethyl-5'-methylacetophenone is an extremely weak basic (essentially neutral) compound (based on its pKa).
Structure
SynonymsNot Available
Molecular FormulaC11H14O4
Average Mass210.229
Monoisotopic Mass210.089208931
IUPAC Name1-[2,4-dihydroxy-3-(methoxymethyl)-5-methylphenyl]ethan-1-one
Traditional Name1-[2,4-dihydroxy-3-(methoxymethyl)-5-methylphenyl]ethanone
CAS Registry NumberNot Available
SMILES
COCC1=C(O)C(C)=CC(C(C)=O)=C1O
InChI Identifier
InChI=1S/C11H14O4/c1-6-4-8(7(2)12)11(14)9(5-15-3)10(6)13/h4,13-14H,5H2,1-3H3
InChI KeyGKRZTNJKOXOWDK-UHFFFAOYSA-N