ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

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

Structural Alerts

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

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

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
FDA SRS 178A96NLP2
Human Metabolome Database HMDB11626
IBM Patent System 4B5F6396C1E9145F1AB7C196ED9D9184
IBM Patents US7531586 US20020045537 EP2207599A1 WO2007060541A2 US7132490 US5435996 WO2001074313A2 EP1114220A1 US5500322 WO2009020998A1 US20060182902 US20070155774 EP0618243A2 EP0295789B1 WO2000077131A1 EP1555989A1 WO2004026271A1 EP0648257A1 WO2008080366A1 US20050065238 WO2010145726A1 EP1104431B1 EP0320023B1 US6124365 US20070289818 US20040101498 US20020004054 EP0823252B1 EP0965332B1 WO2000003956A1 US7842100 US20030144383 WO2008124571A2 US6063172 EP1681046A2 EP1801168B1 EP2249925A1 US6180575 EP1970410A1 WO2007107171A1 US6433033 EP0683175B1 US4786326 EP1236460B1 EP2123646A1 US7786251 US7091280 US6495122 EP1849460A2 US5668275 EP0761779B1 WO2009012871A2 EP0764666B1 US20080313819 US7041232 EP1531781A1 EP2040717A2 US7771492 US20030054025 US6319310 US20080255297 US4844891 US5225479 US5599353 EP1398319A1 EP1958507A1 EP0615535B1 US5990061 US4274279 US5804617 US20060025315 US20100055062 EP2140940A2 US20100152435 US7202015 EP0531837B1 EP0643717A1 EP0573099B1 US6025082 US6646058 EP0500038B1 EP1728843B1 US20060094814 EP0243100A2 US20030147818 US20080154231 US4479806 EP0578435B1 EP0678297A1 EP0823250A3 EP1890679A2 US5766767 US20050176596 WO2009125441A1 US7667059 US6900260 US20050048403 US20060257762 US4514467 WO1995015118A1
KEGG Ligand C02277
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
spacer