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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL108475
CHEMBL108475
Compound Name
ChEMBL Synonyms 4-Ethyl-Phenol | 4-Ethylphenol
Max Phase 0
Trade Names
Molecular Formula C8H10O

Additional synonyms for CHEMBL108475 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCc1ccc(O)cc1
Standard InChI InChI=1S/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3
Standard InChI Key HXDOZKJGKXYMEW-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL108475

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 2.53 1 20.23 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.26 - 2.58 2.58 1 9 0.61

Structural Alerts

There are no structural alerts for CHEMBL108475

Compound Cross References

ChemSpider ChemSpider:HXDOZKJGKXYMEW-UHFFFAOYSA-N
PubChem SID: 144208731 SID: 144213303
Wikipedia 4-Ethylphenol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL108475



ACToR 344345-97-7 29471-88-3 123-07-9
ChEBI 49584
eMolecules 475962
EPA CompTox Dashboard DTXSID4021977
FDA SRS AGG7E6G0ZC
Human Metabolome Database HMDB29306
IBM Patent System A100BF4F9C6C05853E58C835F52A30C7
KEGG Ligand C13637
Mcule MCULE-7755465629
MolPort MolPort-001-783-219
Nikkaji J2.496A
NMRShiftDB 10008890
PDBe ETY
PubChem 31242
PubChem: Thomson Pharma 15321283
SureChEMBL SCHEMBL28713
ZINC ZINC01690956

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