CHEBI:169631 - 2,4-Diisopropyl-5-methylphenol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 2,4-Diisopropyl-5-methylphenol
ChEBI ID CHEBI:169631
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H20O
Net Charge 0
Average Mass 192.302
Monoisotopic Mass 192.15142
InChI InChI=1S/C13H20O/c1-8(2)11-7-12(9(3)4)13(14)6-10(11)5/h6-9,14H,1-5H3
InChIKey NNSNIMZGXLISCO-UHFFFAOYSA-N
SMILES OC1=C(C(C)C)C=C(C(C)C)C(=C1)C
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 2,4-Diisopropyl-5-methylphenol (CHEBI:169631) is a monoterpenoid (CHEBI:25409)
IUPAC Name
5-methyl-2,4-di(propan-2-yl)phenol
Manual Xrefs Databases
460014 ChemSpider
HMDB0029823 HMDB
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Registry Number Type Source
40625-96-5 CAS Registry Number ChemIDplus