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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL278024
CHEMBL278024
Compound Name ANISOLE
ChEMBL Synonyms Methoxy-Benzene | Anisole | Methoxy-Benzeneanisole
Max Phase 0
Trade Names
Molecular Formula C7H8O

Additional synonyms for CHEMBL278024 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccccc1
Standard InChI InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
Standard InChI Key RDOXTESZEPMUJZ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL278024

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
108.1 108.0575 1.81 1 9.23 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.17 2.17 1 8 0.53

Structural Alerts

There are no structural alerts for CHEMBL278024

Compound Cross References

ChemSpider ChemSpider:RDOXTESZEPMUJZ-UHFFFAOYSA-N
Wikipedia Anisole

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL278024



ACToR 100-66-3
BindingDB 50386177
Brenda 20122 137312
ChEBI 16579
eMolecules 477981
EPA CompTox Dashboard DTXSID4041608
FDA SRS B3W693GAZH
Human Metabolome Database HMDB0033895
IBM Patent System 41F88A6FB726311DA1C9095198F5AFB3
KEGG Ligand C01403
Mcule MCULE-2691526560
Metabolights MTBLC16579
MolPort MolPort-000-219-450
Nikkaji J4.012F
NMRShiftDB 10008651
PubChem 7519
PubChem: Thomson Pharma 15194309
Rhea 16579
SureChEMBL SCHEMBL1205
ZINC ZINC000000897131

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