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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL499585
CHEMBL499585
Compound Name PHENETOLE
ChEMBL Synonyms Phenetole | Methyl Anisole
Max Phase 0
Trade Names
Molecular Formula C8H10O

Additional synonyms for CHEMBL499585 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOc1ccccc1
Standard InChI InChI=1S/C8H10O/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H3
Standard InChI Key DLRJIFUOBPOJNS-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL499585

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
122.2 122.0732 2.09 2 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
- - 2.68 2.68 1 9 0.58

Structural Alerts

There are no structural alerts for CHEMBL499585

Compound Cross References

ChemSpider ChemSpider:DLRJIFUOBPOJNS-UHFFFAOYSA-N
Wikipedia Ethyl_phenyl_ether

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL499585



ACToR 103-73-1
Brenda 208361 46262
ChEBI 67129
ChemicalBook CB5120611
eMolecules 491087
EPA CompTox Dashboard DTXSID7059278
FDA SRS RB8LU2C57F
IBM Patent System BF45F01F33D31821D9AEEEA427E2D546
Mcule MCULE-1435278355
MolPort MolPort-000-219-451
Nikkaji J5.020B
NMRShiftDB 10025055
PDBe 16Q
PubChem 7674
PubChem: Thomson Pharma 15119859
SureChEMBL SCHEMBL18492
ZINC ZINC000001599383

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