2-[2-[(6-methyl-3-pyridinyl)oxymethyl]cyclohexyl]butan-2-ol

C17H27NO2 — CID 90426363

IUPAC2-[2-[(6-methyl-3-pyridinyl)oxymethyl]cyclohexyl]butan-2-ol
SMILESCCC(C)(O)C1CCCCC1COc1ccc(C)nc1
InChIInChI=1S/C17H27NO2/c1-4-17(3,19)16-8-6-5-7-14(16)12-20-15-10-9-13(2)18-11-15/h9-11,14,16,19H,4-8,12H2,1-3H3
InChIKeyLJXLXEINFSGYNQ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.74
Rot. Bonds5

About 2-[2-[(6-methyl-3-pyridinyl)oxymethyl]cyclohexyl]butan-2-ol

2-[2-[(6-methyl-3-pyridinyl)oxymethyl]cyclohexyl]butan-2-ol (PubChem CID 90426363) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[2-[(6-methyl-3-pyridinyl)oxymethyl]cyclohexyl]butan-2-ol.

Molecular Properties

Compound Name2-[2-[(6-methyl-3-pyridinyl)oxymethyl]cyclohexyl]butan-2-ol
PubChem CID90426363
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-[2-[(6-methyl-3-pyridinyl)oxymethyl]cyclohexyl]butan-2-ol
SMILESCCC(C)(O)C1CCCCC1COc1ccc(C)nc1
InChIInChI=1S/C17H27NO2/c1-4-17(3,19)16-8-6-5-7-14(16)12-20-15-10-9-13(2)18-11-15/h9-11,14,16,19H,4-8,12H2,1-3H3
InChIKeyLJXLXEINFSGYNQ-UHFFFAOYSA-N
XLogP3.74
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(6-methyl-3-pyridinyl)oxymethyl]cyclohexyl]propan-2-ol
CID 90427949
5-[[2-(2-hydroxybutan-2-yl)cyclohexyl]methoxy]-1H-pyridin-2-one
CID 90426470
3-[[2-(2-hydroxybutan-2-yl)cyclohexyl]methoxy]pyridine-2-carbaldehyde
CID 90428188
2-methyl-1-[(6-methyl-3-pyridinyl)oxy]propan-2-ol
CID 129451823
3-[[2-(2-hydroxypentan-2-yl)cyclohexyl]methoxy]-6-methylpyridine-2-carbaldehyde
CID 118867820
2-methyl-5-[[2-(3-propan-2-ylimidazol-4-yl)cyclohexyl]methoxy]pyridine
CID 90426628
2-methyl-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 54335638
5-ethoxy-2-methylpyridine
CID 573198
tert-butyl (2R)-2-[(6-methyl-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 54565827
2-methyl-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine
CID 18391691
5-[[2-(2-hydroxybutan-2-yl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde
CID 90434266
1-tert-butyl-4-[[(1S)-2-methylcyclohexyl]methoxy]benzene
CID 144526488

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-methyl-3-pyridinyl)oxymethyl]cyclohexyl]butan-2-ol?
The IUPAC name of 2-[2-[(6-methyl-3-pyridinyl)oxymethyl]cyclohexyl]butan-2-ol (CID 90426363) is 2-[2-[(6-methyl-3-pyridinyl)oxymethyl]cyclohexyl]butan-2-ol.
What is the SMILES notation for 2-[2-[(6-methyl-3-pyridinyl)oxymethyl]cyclohexyl]butan-2-ol?
The canonical SMILES for 2-[2-[(6-methyl-3-pyridinyl)oxymethyl]cyclohexyl]butan-2-ol is CCC(C)(O)C1CCCCC1COc1ccc(C)nc1.
What is the InChIKey of 2-[2-[(6-methyl-3-pyridinyl)oxymethyl]cyclohexyl]butan-2-ol?
The InChIKey is LJXLXEINFSGYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-17(3,19)16-8-6-5-7-14(16)12-20-15-10-9-13(2)18-11-15/h9-11,14,16,19H,4-8,12H2,1-3H3.
What are the key properties of 2-[2-[(6-methyl-3-pyridinyl)oxymethyl]cyclohexyl]butan-2-ol?
2-[2-[(6-methyl-3-pyridinyl)oxymethyl]cyclohexyl]butan-2-ol has a molecular weight of 277.41 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-methyl-3-pyridinyl)oxymethyl]cyclohexyl]butan-2-ol is sourced from PubChem (CID 90426363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).