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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1235226
CHEMBL1235226
Compound Name DI(HYDROXYETHYL)ETHER
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C4H10O3

Additional synonyms for CHEMBL1235226 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OCCOCCO
Standard InChI InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
Standard InChI Key MTHSVFCYNBDYFN-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1235226

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
106.1 106.063 -1.01 4 49.69 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -1.41 -1.41 0 7 0.45

Structural Alerts

There are 4 structural alerts for CHEMBL1235226. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MTHSVFCYNBDYFN-UHFFFAOYSA-N
PubChem SID: 144208814 SID: 144210384 SID: 17389920 SID: 49734164

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1235226



ACToR 111-46-6
Brenda 102698 47197
ChEBI 46807
ChemicalBook CB0409579
eMolecules 475220
EPA CompTox Dashboard DTXSID8020462
FDA SRS 61BR964293
KEGG Ligand C14689
Mcule MCULE-1531783732
MolPort MolPort-001-769-205
Nikkaji J5.110A
NMRShiftDB 75388
PDBe PEG
PubChem 8117
PubChem: Thomson Pharma 14747460
SureChEMBL SCHEMBL1462
ZINC ZINC000001668756

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