CHEBI:145406 - 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid

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ChEBI Name 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid
ChEBI ID CHEBI:145406
Definition An aromatic ether that is 2-(4-hydroxyphenoxy)propanoic acid in which the hydrogen of the hydroxy group at position 4 has been substituted by a 2,4-dichlorophenyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C15H12Cl2O4
Net Charge 0
Average Mass 327.160
Monoisotopic Mass 326.01126
InChI InChI=1S/C15H12Cl2O4/c1-9(15(18)19)20-11-3-5-12(6-4-11)21-14-7-2-10(16)8-13(14)17/h2-9H,1H3,(H,18,19)
InChIKey OOLBCHYXZDXLDS-UHFFFAOYSA-N
SMILES C=1(C(=CC(=CC1)Cl)Cl)OC2=CC=C(C=C2)OC(C(O)=O)C
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid (CHEBI:145406) is a aromatic ether (CHEBI:35618)
2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid (CHEBI:145406) is a dichlorobenzene (CHEBI:23697)
2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid (CHEBI:145406) is a diether (CHEBI:46786)
2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid (CHEBI:145406) is a monocarboxylic acid (CHEBI:25384)
Incoming (R)-diclofop (CHEBI:145403) is a 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid (CHEBI:145406)
(S)-diclofop (CHEBI:145404) is a 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid (CHEBI:145406)
IUPAC Name
2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid
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 and the racemate (diclofop).