4-ethoxy-1-(4-methyl-3-pyridinyl)butan-1-ol

C12H19NO2 — CID 105110901

IUPAC4-ethoxy-1-(4-methyl-3-pyridinyl)butan-1-ol
SMILESCCOCCCC(O)c1cnccc1C
InChIInChI=1S/C12H19NO2/c1-3-15-8-4-5-12(14)11-9-13-7-6-10(11)2/h6-7,9,12,14H,3-5,8H2,1-2H3
InChIKeyYQACTAXXNMYOQH-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.24
Rot. Bonds6

About 4-ethoxy-1-(4-methyl-3-pyridinyl)butan-1-ol

4-ethoxy-1-(4-methyl-3-pyridinyl)butan-1-ol (PubChem CID 105110901) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-ethoxy-1-(4-methyl-3-pyridinyl)butan-1-ol.

Molecular Properties

Compound Name4-ethoxy-1-(4-methyl-3-pyridinyl)butan-1-ol
PubChem CID105110901
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name4-ethoxy-1-(4-methyl-3-pyridinyl)butan-1-ol
SMILESCCOCCCC(O)c1cnccc1C
InChIInChI=1S/C12H19NO2/c1-3-15-8-4-5-12(14)11-9-13-7-6-10(11)2/h6-7,9,12,14H,3-5,8H2,1-2H3
InChIKeyYQACTAXXNMYOQH-UHFFFAOYSA-N
XLogP2.24
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-ol
CID 102710133
1-(4-methyl-3-pyridinyl)octan-1-ol
CID 66273519
4-ethoxy-1-isoquinolin-5-ylbutan-1-ol
CID 105094595
4-methyl-1-(4-methyl-3-pyridinyl)pentan-1-ol
CID 66272896
3-(3-methylphenoxy)-1-(4-methyl-3-pyridinyl)propan-1-ol
CID 105110886
1-(4-methyl-3-pyridinyl)-2-pyridin-4-ylethanol
CID 66273541
1-(4-amino-3-pyridinyl)-4-methoxybutan-1-ol
CID 65092313
[4-ethoxy-1-(3-fluoro-4-pyridinyl)butyl]hydrazine
CID 105335371
1-(4-ethoxy-3-pyridinyl)butan-1-ol
CID 165175799
2-cyclobutyl-1-(4-methyl-3-pyridinyl)ethanol
CID 114877786
3-(diethoxymethyl)-4-methylpyridine
CID 55269894
1-(4-methyl-3-pyridinyl)-2-phenylethanol
CID 66273306

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(4-methyl-3-pyridinyl)butan-1-ol?
The IUPAC name of 4-ethoxy-1-(4-methyl-3-pyridinyl)butan-1-ol (CID 105110901) is 4-ethoxy-1-(4-methyl-3-pyridinyl)butan-1-ol.
What is the SMILES notation for 4-ethoxy-1-(4-methyl-3-pyridinyl)butan-1-ol?
The canonical SMILES for 4-ethoxy-1-(4-methyl-3-pyridinyl)butan-1-ol is CCOCCCC(O)c1cnccc1C.
What is the InChIKey of 4-ethoxy-1-(4-methyl-3-pyridinyl)butan-1-ol?
The InChIKey is YQACTAXXNMYOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-3-15-8-4-5-12(14)11-9-13-7-6-10(11)2/h6-7,9,12,14H,3-5,8H2,1-2H3.
What are the key properties of 4-ethoxy-1-(4-methyl-3-pyridinyl)butan-1-ol?
4-ethoxy-1-(4-methyl-3-pyridinyl)butan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(4-methyl-3-pyridinyl)butan-1-ol is sourced from PubChem (CID 105110901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).