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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-Benzeneanisole | Methoxy-Benzene | Anisole
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 1.7 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
ChemicalBook CB5100716
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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