8-(1-methylimidazol-2-yl)octan-4-ol

C12H22N2O — CID 114532164

IUPAC8-(1-methylimidazol-2-yl)octan-4-ol
SMILESCCCC(O)CCCCc1nccn1C
InChIInChI=1S/C12H22N2O/c1-3-6-11(15)7-4-5-8-12-13-9-10-14(12)2/h9-11,15H,3-8H2,1-2H3
InChIKeyJYBKRUAUOPMUOF-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.29
Rot. Bonds7

About 8-(1-methylimidazol-2-yl)octan-4-ol

8-(1-methylimidazol-2-yl)octan-4-ol (PubChem CID 114532164) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 8-(1-methylimidazol-2-yl)octan-4-ol.

Molecular Properties

Compound Name8-(1-methylimidazol-2-yl)octan-4-ol
PubChem CID114532164
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name8-(1-methylimidazol-2-yl)octan-4-ol
SMILESCCCC(O)CCCCc1nccn1C
InChIInChI=1S/C12H22N2O/c1-3-6-11(15)7-4-5-8-12-13-9-10-14(12)2/h9-11,15H,3-8H2,1-2H3
InChIKeyJYBKRUAUOPMUOF-UHFFFAOYSA-N
XLogP2.29
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-(1-methylimidazol-2-yl)heptan-3-ol
CID 114532166
2-butyl-1-methylimidazole;propan-2-ol;hydrochloride
CID 175427574
1-(1-methylimidazol-2-yl)heptane-3,4-diol
CID 103455046
1-methyl-2-nonylimidazole
CID 67393993
1-methyl-2-pentadecylimidazole
CID 68899434
2-(4-bromoheptyl)-1-methylimidazole
CID 79761944
2-(5-bromohexyl)-1-methylimidazole
CID 114532192
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
alumane;2-hexyl-1-methylimidazole;tetrahydrochloride
CID 174887731
2-butyl-1-methylimidazole;fluoroform
CID 162050255
azane;1-methyl-2-propylimidazole
CID 174525892
2-(4-bromohexyl)-1-methylimidazole
CID 79762311

Frequently Asked Questions

What is the IUPAC name of 8-(1-methylimidazol-2-yl)octan-4-ol?
The IUPAC name of 8-(1-methylimidazol-2-yl)octan-4-ol (CID 114532164) is 8-(1-methylimidazol-2-yl)octan-4-ol.
What is the SMILES notation for 8-(1-methylimidazol-2-yl)octan-4-ol?
The canonical SMILES for 8-(1-methylimidazol-2-yl)octan-4-ol is CCCC(O)CCCCc1nccn1C.
What is the InChIKey of 8-(1-methylimidazol-2-yl)octan-4-ol?
The InChIKey is JYBKRUAUOPMUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-6-11(15)7-4-5-8-12-13-9-10-14(12)2/h9-11,15H,3-8H2,1-2H3.
What are the key properties of 8-(1-methylimidazol-2-yl)octan-4-ol?
8-(1-methylimidazol-2-yl)octan-4-ol has a molecular weight of 210.32 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methylimidazol-2-yl)octan-4-ol is sourced from PubChem (CID 114532164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).