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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL117135
CHEMBL117135
Compound Name
ChEMBL Synonyms 2,5-Dihydro-Furan
Max Phase 0
Trade Names
Molecular Formula C4H6O

Additional synonyms for CHEMBL117135 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1OCC=C1
Standard InChI InChI=1S/C4H6O/c1-2-4-5-3-1/h1-2H,3-4H2
Standard InChI Key ARGCQEVBJHPOGB-UHFFFAOYSA-N

Structural Alerts

There are 1 structural alerts for CHEMBL117135. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL117135

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
70.1 70.0419 0.34 0 9.23 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - .34 .34 0 5 0.37

Compound Cross References

ChemSpider ChemSpider:ARGCQEVBJHPOGB-UHFFFAOYSA-N
Wikipedia 2,5-Dihydrofuran

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL117135



ACToR 1708-29-8
eMolecules 492166
IBM Patent System 6D503A63151D7E8922E768AD30B54A21
MolPort MolPort-001-768-951
Nikkaji J41.176K
NMRShiftDB 9668
PubChem 15570
PubChem: Thomson Pharma 15119608
SureChEMBL SCHEMBL59324
ZINC ZINC01690282

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