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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL119596
CHEMBL119596
Compound Name 2-ETHOXYETHANOL
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C4H10O2

Additional synonyms for CHEMBL119596 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOCCO
Standard InChI InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3
Standard InChI Key ZNQVEEAIQZEUHB-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL119596

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
90.1 90.0681 -0.14 3 29.46 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -.19 -.19 0 6 0.49

Structural Alerts

There are 2 structural alerts for CHEMBL119596. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZNQVEEAIQZEUHB-UHFFFAOYSA-N
PubChem SID: 144210351 SID: 17389338
Wikipedia 2-Ethoxyethanol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL119596



ACToR 110-80-5
Brenda 107653 171967 102766 39156
ChEBI 46788
DrugBank DB02249
eMolecules 475141
EPA CompTox Dashboard DTXSID7024087
FDA SRS IDK7C2HS09
Human Metabolome Database HMDB0031213
KEGG Ligand C14687
Mcule MCULE-4311513289
MolPort MolPort-001-791-445
Nikkaji J1.980A
NMRShiftDB 20096504
PDBe ETX
PubChem 8076
PubChem: Thomson Pharma 15437067
SureChEMBL SCHEMBL4686
ZINC ZINC000001648262

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