1-cyclohexyl-3-(5-ethyl-2-pyridinyl)-1-methoxypropan-2-ol

C17H27NO2 — CID 116756434

IUPAC1-cyclohexyl-3-(5-ethyl-2-pyridinyl)-1-methoxypropan-2-ol
SMILESCCc1ccc(CC(O)C(OC)C2CCCCC2)nc1
InChIInChI=1S/C17H27NO2/c1-3-13-9-10-15(18-12-13)11-16(19)17(20-2)14-7-5-4-6-8-14/h9-10,12,14,16-17,19H,3-8,11H2,1-2H3
InChIKeyGTBRFSVYWULUGW-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.14
Rot. Bonds6

About 1-cyclohexyl-3-(5-ethyl-2-pyridinyl)-1-methoxypropan-2-ol

1-cyclohexyl-3-(5-ethyl-2-pyridinyl)-1-methoxypropan-2-ol (PubChem CID 116756434) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-cyclohexyl-3-(5-ethyl-2-pyridinyl)-1-methoxypropan-2-ol.

Molecular Properties

Compound Name1-cyclohexyl-3-(5-ethyl-2-pyridinyl)-1-methoxypropan-2-ol
PubChem CID116756434
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-cyclohexyl-3-(5-ethyl-2-pyridinyl)-1-methoxypropan-2-ol
SMILESCCc1ccc(CC(O)C(OC)C2CCCCC2)nc1
InChIInChI=1S/C17H27NO2/c1-3-13-9-10-15(18-12-13)11-16(19)17(20-2)14-7-5-4-6-8-14/h9-10,12,14,16-17,19H,3-8,11H2,1-2H3
InChIKeyGTBRFSVYWULUGW-UHFFFAOYSA-N
XLogP3.14
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-ethyl-2-pyridinyl)-4-methylpentane-2,3-diol
CID 103456372
1-cyclohexyl-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methoxypropan-2-ol
CID 116756479
3-(4-chloro-3-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-ol
CID 107884380
1-(2,2-dimethylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 107192689
1-cyclohexyl-3-(3-fluorophenyl)-1-methoxypropan-2-ol
CID 116756361
1-cyclopropyl-1-methoxy-3-(4-methylphenyl)propan-2-ol
CID 116712560
3-ethyl-1-(5-ethyl-2-pyridinyl)-3-methoxypentan-2-ol
CID 116752855
4-ethoxy-1-(5-ethyl-2-pyridinyl)butan-2-ol
CID 105115139
1-(5-ethyl-2-pyridinyl)-4-(oxan-2-yl)butan-2-ol
CID 115822339
[1-(7-bicyclo[4.1.0]heptanyl)-2-(5-ethyl-2-pyridinyl)ethyl]hydrazine
CID 105324428
3-(5-ethyl-2-pyridinyl)-2-methylpropan-1-amine
CID 81020364
1-cyclopropyl-3-(3,4-dimethylphenyl)-1-methoxypropan-2-ol
CID 116712521

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(5-ethyl-2-pyridinyl)-1-methoxypropan-2-ol?
The IUPAC name of 1-cyclohexyl-3-(5-ethyl-2-pyridinyl)-1-methoxypropan-2-ol (CID 116756434) is 1-cyclohexyl-3-(5-ethyl-2-pyridinyl)-1-methoxypropan-2-ol.
What is the SMILES notation for 1-cyclohexyl-3-(5-ethyl-2-pyridinyl)-1-methoxypropan-2-ol?
The canonical SMILES for 1-cyclohexyl-3-(5-ethyl-2-pyridinyl)-1-methoxypropan-2-ol is CCc1ccc(CC(O)C(OC)C2CCCCC2)nc1.
What is the InChIKey of 1-cyclohexyl-3-(5-ethyl-2-pyridinyl)-1-methoxypropan-2-ol?
The InChIKey is GTBRFSVYWULUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-13-9-10-15(18-12-13)11-16(19)17(20-2)14-7-5-4-6-8-14/h9-10,12,14,16-17,19H,3-8,11H2,1-2H3.
What are the key properties of 1-cyclohexyl-3-(5-ethyl-2-pyridinyl)-1-methoxypropan-2-ol?
1-cyclohexyl-3-(5-ethyl-2-pyridinyl)-1-methoxypropan-2-ol has a molecular weight of 277.41 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(5-ethyl-2-pyridinyl)-1-methoxypropan-2-ol is sourced from PubChem (CID 116756434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).