(4-Methylphenyl) methanol, neopentyl ether (CHEBI:229408)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:229408 - (4-Methylphenyl) methanol, neopentyl ether

Take structure to advanced search

ChEBI ID	CHEBI:229408
ChEBI Name	(4-Methylphenyl) methanol, neopentyl ether
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C13H20O
Net Charge	0
Average Mass	192.302
Monoisotopic Mass	192.15142
SMILES	Cc1ccc(COCC(C)(C)C)cc1
InChI	InChI=1S/C13H20O/c1-11-5-7-12(8-6-11)9-14-10-13(2,3)4/h5-8H,9-10H2,1-4H3
InChIKey	WQRWEGDDRIBSTK-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Oryctolagus cuniculus (ncbitaxon:9986)	longissimus thoracis (BTO:0001651)	MetaboLights (MTBLS8958)

ChEBI Ontology

Outgoing Relation(s)
	(4-Methylphenyl) methanol, neopentyl ether (CHEBI:229408) is a benzyl ether (CHEBI:59859)

IUPAC Name
1-(2,2-dimethylpropoxymethyl)-4-methylbenzene

Manual Xrefs	Databases
29759325	ChemSpider