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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL16264
CHEMBL16264
Compound Name ETHER
ChEMBL Synonyms Ether | Ethyl Oxide | Ethyl Ether
Max Phase 0
Trade Names
Molecular Formula C4H10O

Additional synonyms for CHEMBL16264 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOCC
Standard InChI InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3
Standard InChI Key RTZKZFJDLAIYFH-UHFFFAOYSA-N

Molecule Features

CHEMBL16264 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Trials for Compound

Number of clinical trials registered at clinicaltrials.gov

Alternate Forms of Compound in ChEMBL


CHEMBL16264

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
74.1 74.0732 0.75 0 2 Yes Yes -


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms Num Alerts QED Weighted
- - 1.04 1.04 0 5 0 0.47

Compound Cross References

ATC N NERVOUS SYSTEM
N01 ANESTHETICS
N01A ANESTHETICS, GENERAL
N01AA Ethers
N01AA01 diethyl ether

ChemSpider ChemSpider:RTZKZFJDLAIYFH-UHFFFAOYSA-N
Wikipedia Diethyl_ether

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL16264



PDBe ETZ
KEGG Ligand C13240
ChEBI 35702
ZINC ZINC01657408
eMolecules 485898
IBM Patent System 57C7935AA7E8DF07D04CC1DF88AE096A
FDA SRS 0F5N573A2Y
PharmGKB PA449525
PubChem: Thomson Pharma 15146292
PubChem 3283
Mcule MCULE-5665709021
NMRShiftDB 7995

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