1-[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]ethanone

C15H21NO2 — CID 114341231

IUPAC1-[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(OC2CCC(C)(C)CC2)nc1
InChIInChI=1S/C15H21NO2/c1-11(17)12-4-5-14(16-10-12)18-13-6-8-15(2,3)9-7-13/h4-5,10,13H,6-9H2,1-3H3
InChIKeyADARHSFRXFOARA-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.63
Rot. Bonds3

About 1-[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]ethanone

1-[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]ethanone (PubChem CID 114341231) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]ethanone
PubChem CID114341231
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(OC2CCC(C)(C)CC2)nc1
InChIInChI=1S/C15H21NO2/c1-11(17)12-4-5-14(16-10-12)18-13-6-8-15(2,3)9-7-13/h4-5,10,13H,6-9H2,1-3H3
InChIKeyADARHSFRXFOARA-UHFFFAOYSA-N
XLogP3.63
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]ethanone (CID 114341231) is 1-[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]ethanone is CC(=O)c1ccc(OC2CCC(C)(C)CC2)nc1.
What is the InChIKey of 1-[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]ethanone?
The InChIKey is ADARHSFRXFOARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11(17)12-4-5-14(16-10-12)18-13-6-8-15(2,3)9-7-13/h4-5,10,13H,6-9H2,1-3H3.
What are the key properties of 1-[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]ethanone?
1-[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]ethanone has a molecular weight of 247.34 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]ethanone is sourced from PubChem (CID 114341231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).