CHEBI:34440 - 4-nonylphenol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-nonylphenol
ChEBI ID CHEBI:34440
Definition A member of the class of phenols that is phenol which is para-substituted with a nonyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information eMolecules:509542, ZINC000000900708
Download Molfile XML SDF
Formula C15H24O
Net Charge 0
Average Mass 220.35046
Monoisotopic Mass 220.18272
InChI InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13,16H,2-9H2,1H3
InChIKey IGFHQQFPSIBGKE-UHFFFAOYSA-N
SMILES CCCCCCCCCc1ccc(O)cc1
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 4-nonylphenol (CHEBI:34440) has role environmental contaminant (CHEBI:78298)
4-nonylphenol (CHEBI:34440) is a phenols (CHEBI:33853)
IUPAC Name
4-nonylphenol
Synonyms Sources
4-n-Nonylphenol KEGG COMPOUND
4-Nonylphenol KEGG COMPOUND
p-n-Nonylphenol ChemIDplus
p-Nonylphenol KEGG COMPOUND
para Nonyl phenol NIST Chemistry WebBook
Manual Xrefs Databases
1543 PPDB
C14550 KEGG COMPOUND
HMDB0038982 HMDB
LSM-19987 LINCS
View more database links
Registry Numbers Types Sources
104-40-5 CAS Registry Number ChemIDplus
104-40-5 CAS Registry Number NIST Chemistry WebBook
2047450 Reaxys Registry Number Reaxys
Citations Types Sources
18506497 PubMed citation Europe PMC
21823570 PubMed citation Europe PMC
22133150 PubMed citation Europe PMC
24805085 PubMed citation Europe PMC
Last Modified
25 February 2016