(3-octylimidazol-4-yl)methanol

C12H22N2O — CID 18670790

IUPAC(3-octylimidazol-4-yl)methanol
SMILESCCCCCCCCn1cncc1CO
InChIInChI=1S/C12H22N2O/c1-2-3-4-5-6-7-8-14-11-13-9-12(14)10-15/h9,11,15H,2-8,10H2,1H3
InChIKeyYQMLQCBJTOLKLK-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.74
Rot. Bonds8

About (3-octylimidazol-4-yl)methanol

(3-octylimidazol-4-yl)methanol (PubChem CID 18670790) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (3-octylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(3-octylimidazol-4-yl)methanol
PubChem CID18670790
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(3-octylimidazol-4-yl)methanol
SMILESCCCCCCCCn1cncc1CO
InChIInChI=1S/C12H22N2O/c1-2-3-4-5-6-7-8-14-11-13-9-12(14)10-15/h9,11,15H,2-8,10H2,1H3
InChIKeyYQMLQCBJTOLKLK-UHFFFAOYSA-N
XLogP2.74
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.74
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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Frequently Asked Questions

What is the IUPAC name of (3-octylimidazol-4-yl)methanol?
The IUPAC name of (3-octylimidazol-4-yl)methanol (CID 18670790) is (3-octylimidazol-4-yl)methanol.
What is the SMILES notation for (3-octylimidazol-4-yl)methanol?
The canonical SMILES for (3-octylimidazol-4-yl)methanol is CCCCCCCCn1cncc1CO.
What is the InChIKey of (3-octylimidazol-4-yl)methanol?
The InChIKey is YQMLQCBJTOLKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-2-3-4-5-6-7-8-14-11-13-9-12(14)10-15/h9,11,15H,2-8,10H2,1H3.
What are the key properties of (3-octylimidazol-4-yl)methanol?
(3-octylimidazol-4-yl)methanol has a molecular weight of 210.32 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-octylimidazol-4-yl)methanol is sourced from PubChem (CID 18670790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).