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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL367623
CHEMBL367623
Compound Name 2,4-DICHLOROPHENOXYACETIC ACID
ChEMBL Synonyms 2-(2,4-Dichlorophenoxy)Acetic Acid | 2,4-Dichlorophenoxyacetic Acid | 2,4-Dichlorophenyloxyacetic Acid | (2,4-Dichlorophenoxy)Acetic Acid
Max Phase 0
Trade Names
Molecular Formula C8H6Cl2O3

Additional synonyms for CHEMBL367623 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)COc1ccc(Cl)cc1Cl
Standard InChI InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H ...
Download InChI
Standard InChI Key OVSKIKFHRZPJSS-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database

Alternate Forms of Compound in ChEMBL


CHEMBL367623

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
221 219.9694 2.62 3 46.53 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.98 - 2.43 -1.24 1 13 0.85

Structural Alerts

There are no structural alerts for CHEMBL367623

Compound Cross References

HRAC O - ACTION LIKE INDOLE ACETIC ACID (SYNTHETIC AUXINS)
O1 - PHENOXY-CARBOXYLIC-ACID
O12 - 2,4-D
ChemSpider ChemSpider:OVSKIKFHRZPJSS-UHFFFAOYSA-N
PubChem SID: 144208949 SID: 144211207 SID: 17389928 SID: 26752757 SID: 56314831
Wikipedia 2,4-Dichlorophenoxyacetic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL367623



ACToR 94-75-7 15183-39-8
Brenda 44039 109417 114571 29340 5092
ChEBI 28854
eMolecules 497090
EPA CompTox Dashboard DTXSID0020442
FDA SRS 2577AQ9262
Human Metabolome Database HMDB0041797
IBM Patent System 53D4073A219FAF3FD30EEACC2FB0F5FF
KEGG Ligand C03664
LINCS LSM-19988
Mcule MCULE-7323613760
MolPort MolPort-000-454-068
Nikkaji J3.947K
NMRShiftDB 20039668
PDBe CFA
PubChem 1486
PubChem: Thomson Pharma 15365653
SureChEMBL SCHEMBL27783
ZINC ZINC000000057143

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/OVSKIKFHRZPJSS-UHFFFAOYSA-N spacer
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