1-[5-(3-methoxycyclohexyl)oxy-2-pyridinyl]ethanone

C14H19NO3 — CID 83120164

IUPAC1-[5-(3-methoxycyclohexyl)oxy-2-pyridinyl]ethanone
SMILESCOC1CCCC(Oc2ccc(C(C)=O)nc2)C1
InChIInChI=1S/C14H19NO3/c1-10(16)14-7-6-13(9-15-14)18-12-5-3-4-11(8-12)17-2/h6-7,9,11-12H,3-5,8H2,1-2H3
InChIKeyZRUNYGAZMIVLHA-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.62
Rot. Bonds4

About 1-[5-(3-methoxycyclohexyl)oxy-2-pyridinyl]ethanone

1-[5-(3-methoxycyclohexyl)oxy-2-pyridinyl]ethanone (PubChem CID 83120164) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[5-(3-methoxycyclohexyl)oxy-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-(3-methoxycyclohexyl)oxy-2-pyridinyl]ethanone
PubChem CID83120164
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-[5-(3-methoxycyclohexyl)oxy-2-pyridinyl]ethanone
SMILESCOC1CCCC(Oc2ccc(C(C)=O)nc2)C1
InChIInChI=1S/C14H19NO3/c1-10(16)14-7-6-13(9-15-14)18-12-5-3-4-11(8-12)17-2/h6-7,9,11-12H,3-5,8H2,1-2H3
InChIKeyZRUNYGAZMIVLHA-UHFFFAOYSA-N
XLogP2.62
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methoxycyclohexyl)oxy-2-pyridinyl]ethanone?
The IUPAC name of 1-[5-(3-methoxycyclohexyl)oxy-2-pyridinyl]ethanone (CID 83120164) is 1-[5-(3-methoxycyclohexyl)oxy-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-(3-methoxycyclohexyl)oxy-2-pyridinyl]ethanone?
The canonical SMILES for 1-[5-(3-methoxycyclohexyl)oxy-2-pyridinyl]ethanone is COC1CCCC(Oc2ccc(C(C)=O)nc2)C1.
What is the InChIKey of 1-[5-(3-methoxycyclohexyl)oxy-2-pyridinyl]ethanone?
The InChIKey is ZRUNYGAZMIVLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10(16)14-7-6-13(9-15-14)18-12-5-3-4-11(8-12)17-2/h6-7,9,11-12H,3-5,8H2,1-2H3.
What are the key properties of 1-[5-(3-methoxycyclohexyl)oxy-2-pyridinyl]ethanone?
1-[5-(3-methoxycyclohexyl)oxy-2-pyridinyl]ethanone has a molecular weight of 249.31 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methoxycyclohexyl)oxy-2-pyridinyl]ethanone is sourced from PubChem (CID 83120164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).