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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL502074
CHEMBL502074
Compound Name BUTYLATED HYDROXYANISOLE
ChEMBL Synonyms Butylated hydroxyanisole | E320 | BHA
Max Phase 0
Trade Names
Molecular Formula C11H16O2

Additional synonyms for CHEMBL502074 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(O)cc1C(C)(C)C
Standard InChI InChI=1S/C11H16O2/c1-11(2,3)9-7-8(12)5-6-10(9)13-4/h5-7,12H, ...
Download InChI
Standard InChI Key IMOYOUMVYICGCA-UHFFFAOYSA-N

Sources

  • Open TG-GATEs
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL502074

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
180.2 180.115 2.97 2 29.46 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.58 - 3.36 3.36 1 13 0.76

Structural Alerts

There are no structural alerts for CHEMBL502074

Compound Cross References

ChemSpider ChemSpider:IMOYOUMVYICGCA-UHFFFAOYSA-N
Wikipedia Butylated_hydroxyanisole

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL502074



ACToR 344312-06-7 88-32-4
BindingDB 50377940
Brenda 147622
ChEBI 76357
eMolecules 2723567
EPA CompTox Dashboard DTXSID7058963
FDA SRS A03IJ8ROOP
Human Metabolome Database HMDB0059926
IBM Patent System FAA811E65D63CFB506AFE0BC0EDC1FDE
MolPort MolPort-002-345-557
Nikkaji J175.231F
PubChem 6932
PubChem: Thomson Pharma 15147327
SureChEMBL SCHEMBL61547
ZINC ZINC000000056481

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