EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:95048 - 4-(4-octylphenyl)benzoic acid

ChEBI IDCHEBI:95048
ChEBI Name4-(4-octylphenyl)benzoic acid
Stars
Last Modified24 July 2018
DownloadsMolfile
FormulaC21H26O2
Net Charge0
Average Mass310.437
Monoisotopic Mass310.19328
SMILESCCCCCCCCc1ccc(-c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C21H26O2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)19-13-15-20(16-14-19)21(22)23/h9-16H,2-8H2,1H3,(H,22,23)
InChIKeyHXBKPYIEQLLNBK-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
4-(4-octylphenyl)benzoic acid (CHEBI:95048) is a biphenyls (CHEBI:22888)
4-(4-octylphenyl)benzoic acid (CHEBI:95048) is a carboxybiphenyl (CHEBI:141493)
Manual XrefsDatabases
LSM-6290LINCS