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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 BHA | E320 | Butylated hydroxyanisole
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

Structural Alerts

There are no structural alerts for CHEMBL502074

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

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
ChEBI 76357
eMolecules 2723567
EPA CompTox Dashboard DTXSID7058963
FDA SRS A03IJ8ROOP
Human Metabolome Database HMDB59926
IBM Patent System FAA811E65D63CFB506AFE0BC0EDC1FDE
MolPort MolPort-002-345-557
Nikkaji J175.231F
PubChem 6932
PubChem: Thomson Pharma 15147327
SureChEMBL SCHEMBL61547
ZINC ZINC00056481

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