ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL444144
CHEMBL444144
Compound Name 2-METHOXYETHANOL
ChEMBL Synonyms SID68096 | 2-Methoxyethanol
Max Phase 0
Trade Names
Molecular Formula C3H8O2

Additional synonyms for CHEMBL444144 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COCCO
Standard InChI InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3
Standard InChI Key XNWFRZJHXBZDAG-UHFFFAOYSA-N

Clinical Trials for Compound

Number of clinical trials registered at clinicaltrials.gov

Alternate Forms of Compound in ChEMBL


CHEMBL444144

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Ro5 Violations #Rotatable Bonds Ro3 Med Chem Friendly Molecular Species
76.1 76.0524 -0.49 0 2 Yes Yes NEUTRAL


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms Num Alerts QED Weighted
- - -.7 -.7 0 5 0 0.48

Compound Cross References

ChemSpider ChemSpider:XNWFRZJHXBZDAG-UHFFFAOYSA-N
PubChem SID: 68096
Wikipedia 2-Methoxyethanol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL444144



DrugBank DB02806
PDBe MXE
ChEBI 46790
ZINC ZINC01591817
eMolecules 483819
IBM Patent System 0B22C70FA1B31A19EE7B133741A0D736
FDA SRS EK1L6XWI56
PubChem: Thomson Pharma 15170358
PubChem 8019
NMRShiftDB 10008674

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