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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

Structural Alerts

There are no structural alerts for CHEMBL108475

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

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
DSSTox DTXSID4021977
eMolecules 475962
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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