EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:137509 - 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid

Default Structure
ChEBI IDCHEBI:137509
ChEBI Name2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid
Stars
DefinitionA monocarboxylic acid that is 2-phenoxypropanoic acid in which the phenyl group is substituted at the para position by a (6-chloroquinoxalin-2-yl)oxy group.
Last Modified18 July 2017
SubmitterGareth Owen
DownloadsMolfile
FormulaC17H13ClN2O4
Net Charge0
Average Mass344.754
Monoisotopic Mass344.05638
SMILESCC(Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)O
InChIInChI=1S/C17H13ClN2O4/c1-10(17(21)22)23-12-3-5-13(6-4-12)24-16-9-19-15-8-11(18)2-7-14(15)20-16/h2-10H,1H3,(H,21,22)
InChIKeyABOOPXYCKNFDNJ-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)
2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid (CHEBI:137509) is a aromatic ether (CHEBI:35618)
2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid (CHEBI:137509) is a monocarboxylic acid (CHEBI:25384)
2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid (CHEBI:137509) is a organochlorine compound (CHEBI:36683)
2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid (CHEBI:137509) is a quinoxaline derivative (CHEBI:38771)
Incoming Relation(s)
ethyl 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate (CHEBI:137937) has functional parent 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid (CHEBI:137509)
(S)-quizalofop (CHEBI:137513) is a 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid (CHEBI:137509)
quizalofop-P (CHEBI:137507) is a 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid (CHEBI:137509)
IUPAC Name 
2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid
Synonym  Source
2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propionic acidChEBI