Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 09:02:02 UTC
Update Date2022-08-31 06:44:37 UTC
Metabolite IDMMDBc0018892
Metabolite Identification
Common Name4-(2',3'-dihydroxy-3'-methylbutanoxy)phenethanol
Description4-(2',3'-dihydroxy-3'-methylbutanoxy)phenethanol belongs to the class of organic compounds known as tyrosols and derivatives. Tyrosols and derivatives are compounds containing a hydroxyethyl group attached to the C4 carbon of a phenol group. 4-(2',3'-dihydroxy-3'-methylbutanoxy)phenethanol is an extremely weak basic (essentially neutral) compound (based on its pKa).
Structure
SynonymsNot Available
Molecular FormulaC13H20O4
Average Mass240.299
Monoisotopic Mass240.136159124
IUPAC Name1-[4-(2-hydroxyethyl)phenoxy]-3-methylbutane-2,3-diol
Traditional Name1-[4-(2-hydroxyethyl)phenoxy]-3-methylbutane-2,3-diol
CAS Registry NumberNot Available
SMILES
CC(C)(O)C(O)COC1=CC=C(CCO)C=C1
InChI Identifier
InChI=1S/C13H20O4/c1-13(2,16)12(15)9-17-11-5-3-10(4-6-11)7-8-14/h3-6,12,14-16H,7-9H2,1-2H3
InChI KeyDVQILWHZKPHYTH-UHFFFAOYSA-N