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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL24722
CHEMBL24722
Compound Name DODECANOL
ChEMBL Synonyms Dodecan-1-ol | 1-Dodecanol
Max Phase 0
Trade Names
Molecular Formula C12H26O

Additional synonyms for CHEMBL24722 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCCCCO
Standard InChI InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2, ...
Download InChI
Standard InChI Key LQZZUXJYWNFBMV-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL24722

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
186.3 186.1984 4.62 10 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
- - 4.91 4.91 0 13 0.49

Structural Alerts

There are 9 structural alerts for CHEMBL24722. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LQZZUXJYWNFBMV-UHFFFAOYSA-N
PubChem SID: 144209322 SID: 144210440
Wikipedia Dodecanol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL24722



ACToR 112-53-8 27342-88-7 63393-82-8
ChEBI 28878
DrugBank DB06894
eMolecules 480010
EPA CompTox Dashboard DTXSID5026918
FDA SRS 178A96NLP2
Human Metabolome Database HMDB11626
IBM Patent System 4B5F6396C1E9145F1AB7C196ED9D9184
KEGG Ligand C02277
LipidMaps LMFA05000001
Mcule MCULE-9381688904
MolPort MolPort-001-779-974
Nikkaji J1.505I
PDBe 1DO
PubChem 8193
PubChem: Thomson Pharma 15219776
SureChEMBL SCHEMBL6844
ZINC ZINC01529403

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