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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL308187
CHEMBL308187
Compound Name FURFURYL ALCOHOL
ChEMBL Synonyms Furfuryl Alcohol | 2-Hydroxymethyl-Furan
Max Phase 0
Trade Names
Molecular Formula C5H6O2

Additional synonyms for CHEMBL308187 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OCc1occc1
Standard InChI InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2
Standard InChI Key XPFVYQJUAUNWIW-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL308187

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
98.1 98.0368 0.41 1 33.37 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - .21 .21 1 7 0.54

Structural Alerts

There are no structural alerts for CHEMBL308187

Compound Cross References

ChemSpider ChemSpider:XPFVYQJUAUNWIW-UHFFFAOYSA-N
PubChem SID: 144209300 SID: 144213410
Wikipedia Furfuryl_alcohol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL308187



ACToR 98-00-0 25212-86-6
Brenda 93413 9165
ChEBI 207496
eMolecules 486497
EPA CompTox Dashboard DTXSID2025347
FDA SRS D582054MUH
Human Metabolome Database HMDB0013742
IBM Patent System 30E3990416245169BCFCAC7C5CC8AB43
Mcule MCULE-4977977402
MolPort MolPort-000-872-013
Nikkaji J3.578E
NMRShiftDB 10008773
PubChem 7361
PubChem: Thomson Pharma 15170435
SureChEMBL SCHEMBL37326
ZINC ZINC000001648266

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