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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL444144
CHEMBL444144
Compound Name 2-METHOXYETHANOL
ChEMBL Synonyms 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

Sources

  • PubChem BioAssays
  • Scientific Literature

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 #Rotatable Bonds Polar Surface Area Molecular Species
76.1 76.0524 -0.49 2 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
- - -.7 -.7 0 5 0.48

Structural Alerts

There are no structural alerts for CHEMBL444144

Compound Cross References

ChemSpider ChemSpider:XNWFRZJHXBZDAG-UHFFFAOYSA-N
PubChem SID: 144211397 SID: 68096
Wikipedia 2-Methoxyethanol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL444144



ACToR 9004-74-4 109-86-4 102868-77-9 32718-54-0
Brenda 44120 93362 107608 127492 93365 93347 15502 94043
ChEBI 46790
DrugBank DB02806
eMolecules 483819
EPA CompTox Dashboard DTXSID5024182
FDA SRS EK1L6XWI56
Mcule MCULE-4751927883
MolPort MolPort-039-145-003 MolPort-001-793-100
Nikkaji J2.442B
NMRShiftDB 10008674
PDBe MXE
PubChem 8019
PubChem: Thomson Pharma 15170358
SureChEMBL SCHEMBL310
ZINC ZINC000001591817

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