2-ethyl-4-(4-methyl-3-pyridinyl)oxan-4-ol

C13H19NO2 — CID 66274151

IUPAC2-ethyl-4-(4-methyl-3-pyridinyl)oxan-4-ol
SMILESCCC1CC(O)(c2cnccc2C)CCO1
InChIInChI=1S/C13H19NO2/c1-3-11-8-13(15,5-7-16-11)12-9-14-6-4-10(12)2/h4,6,9,11,15H,3,5,7-8H2,1-2H3
InChIKeyOCTUNALITZYFRI-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.17
Rot. Bonds2

About 2-ethyl-4-(4-methyl-3-pyridinyl)oxan-4-ol

2-ethyl-4-(4-methyl-3-pyridinyl)oxan-4-ol (PubChem CID 66274151) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-ethyl-4-(4-methyl-3-pyridinyl)oxan-4-ol.

Molecular Properties

Compound Name2-ethyl-4-(4-methyl-3-pyridinyl)oxan-4-ol
PubChem CID66274151
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-ethyl-4-(4-methyl-3-pyridinyl)oxan-4-ol
SMILESCCC1CC(O)(c2cnccc2C)CCO1
InChIInChI=1S/C13H19NO2/c1-3-11-8-13(15,5-7-16-11)12-9-14-6-4-10(12)2/h4,6,9,11,15H,3,5,7-8H2,1-2H3
InChIKeyOCTUNALITZYFRI-UHFFFAOYSA-N
XLogP2.17
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(4-methyl-3-pyridinyl)oxan-4-ol?
The IUPAC name of 2-ethyl-4-(4-methyl-3-pyridinyl)oxan-4-ol (CID 66274151) is 2-ethyl-4-(4-methyl-3-pyridinyl)oxan-4-ol.
What is the SMILES notation for 2-ethyl-4-(4-methyl-3-pyridinyl)oxan-4-ol?
The canonical SMILES for 2-ethyl-4-(4-methyl-3-pyridinyl)oxan-4-ol is CCC1CC(O)(c2cnccc2C)CCO1.
What is the InChIKey of 2-ethyl-4-(4-methyl-3-pyridinyl)oxan-4-ol?
The InChIKey is OCTUNALITZYFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-11-8-13(15,5-7-16-11)12-9-14-6-4-10(12)2/h4,6,9,11,15H,3,5,7-8H2,1-2H3.
What are the key properties of 2-ethyl-4-(4-methyl-3-pyridinyl)oxan-4-ol?
2-ethyl-4-(4-methyl-3-pyridinyl)oxan-4-ol has a molecular weight of 221.30 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(4-methyl-3-pyridinyl)oxan-4-ol is sourced from PubChem (CID 66274151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).