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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL288998
CHEMBL288998
Compound Name CYCLOPENTANOL
ChEMBL Synonyms Cyclopentanol
Max Phase 0
Trade Names
Molecular Formula C5H10O

Additional synonyms for CHEMBL288998 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC1CCCC1
Standard InChI InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2
Standard InChI Key XCIXKGXIYUWCLL-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL288998

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
86.1 86.0732 1.04 0 20.23 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - .76 .76 0 6 0.47

Structural Alerts

There are no structural alerts for CHEMBL288998

Compound Cross References

ChemSpider ChemSpider:XCIXKGXIYUWCLL-UHFFFAOYSA-N
PubChem SID: 144207307 SID: 144213868 SID: 17389079 SID: 49718177
Wikipedia Cyclopentanol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL288998



ACToR 96-41-3
ChEBI 16133
eMolecules 495732
EPA CompTox Dashboard DTXSID1033371
FDA SRS 1L43Q07TBU
IBM Patent System FFE9C68CB1A1317DC22CBAAFC6D75390
KEGG Ligand C02020
Mcule MCULE-1758440264
MolPort MolPort-001-759-288
Nikkaji J43.298I
NMRShiftDB 10114558
PDBe YEG
PubChem 7298
PubChem: Thomson Pharma 15218660
SureChEMBL SCHEMBL2433
ZINC ZINC00901228

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