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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

Structural Alerts

There are no structural alerts for CHEMBL288998

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

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
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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