CHEBI:145412 - methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate
ChEBI ID CHEBI:145412
Definition A methyl ester resulting from the formal condensation of the carboxylic acid group of 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid with methanol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C16H14Cl2O4
Net Charge 0
Average Mass 341.180
Monoisotopic Mass 340.02691
InChI InChI=1S/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3
InChIKey BACHBFVBHLGWSL-UHFFFAOYSA-N
SMILES C=1(C(=CC(=CC1)Cl)Cl)OC2=CC=C(C=C2)OC(C(OC)=O)C
ChEBI Ontology
Outgoing methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate (CHEBI:145412) is a aromatic ether (CHEBI:35618)
methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate (CHEBI:145412) is a dichlorobenzene (CHEBI:23697)
methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate (CHEBI:145412) is a diether (CHEBI:46786)
methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate (CHEBI:145412) is a methyl ester (CHEBI:25248)
Incoming (R)-diclofop-methyl (CHEBI:145413) is a methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate (CHEBI:145412)
(S)-diclofop-methyl (CHEBI:145414) is a methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate (CHEBI:145412)
IUPAC Name
methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate
Last Modified
18 November 2019
General Comment
2019-11-18 Note that this is the entry for material with unspecified configuration. There are separate entries for the individual enantiomers (R)- and (S)-diclofop-methyl and the racemate (diclofop-methyl).