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

C11H17NO2 — CID 165175799

IUPAC1-(4-ethoxy-3-pyridinyl)butan-1-ol
SMILESCCCC(O)c1cnccc1OCC
InChIInChI=1S/C11H17NO2/c1-3-5-10(13)9-8-12-7-6-11(9)14-4-2/h6-8,10,13H,3-5H2,1-2H3
InChIKeyROELDAVZSRZNPP-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.31
Rot. Bonds5

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

1-(4-ethoxy-3-pyridinyl)butan-1-ol (PubChem CID 165175799) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-(4-ethoxy-3-pyridinyl)butan-1-ol.

Molecular Properties

Compound Name1-(4-ethoxy-3-pyridinyl)butan-1-ol
PubChem CID165175799
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-(4-ethoxy-3-pyridinyl)butan-1-ol
SMILESCCCC(O)c1cnccc1OCC
InChIInChI=1S/C11H17NO2/c1-3-5-10(13)9-8-12-7-6-11(9)14-4-2/h6-8,10,13H,3-5H2,1-2H3
InChIKeyROELDAVZSRZNPP-UHFFFAOYSA-N
XLogP2.31
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[4-(2-methylpropoxy)-3-pyridinyl]ethanol
CID 83885089
1-(3-ethoxy-4-pyridinyl)ethanol
CID 115013248
1-(3-methoxy-4-pyridinyl)pentan-1-ol
CID 105066220
3-ethoxy-4-propoxypyridine
CID 90961233
1-(4-methyl-3-pyridinyl)octan-1-ol
CID 66273519
4-ethoxy-1-(4-methyl-3-pyridinyl)butan-1-ol
CID 105110901
ethane;4-ethoxy-3-methylpyridine
CID 177233068
ethyl 2,3-dihydroxy-3-(4-methoxy-3-pyridinyl)propanoate
CID 171865897
1-(4-cyclopropyloxy-3-pyridinyl)-2-(methylamino)pentan-1-ol
CID 178102990
(2R)-2-(methylamino)-1-(4-propan-2-yloxy-3-pyridinyl)pentan-1-ol
CID 178103202
3-ethoxy-4-propylpyridine
CID 176934400
3-(4-ethoxy-3-pyridinyl)propanoic acid
CID 84666014

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-pyridinyl)butan-1-ol?
The IUPAC name of 1-(4-ethoxy-3-pyridinyl)butan-1-ol (CID 165175799) is 1-(4-ethoxy-3-pyridinyl)butan-1-ol.
What is the SMILES notation for 1-(4-ethoxy-3-pyridinyl)butan-1-ol?
The canonical SMILES for 1-(4-ethoxy-3-pyridinyl)butan-1-ol is CCCC(O)c1cnccc1OCC.
What is the InChIKey of 1-(4-ethoxy-3-pyridinyl)butan-1-ol?
The InChIKey is ROELDAVZSRZNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-5-10(13)9-8-12-7-6-11(9)14-4-2/h6-8,10,13H,3-5H2,1-2H3.
What are the key properties of 1-(4-ethoxy-3-pyridinyl)butan-1-ol?
1-(4-ethoxy-3-pyridinyl)butan-1-ol has a molecular weight of 195.26 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3-pyridinyl)butan-1-ol is sourced from PubChem (CID 165175799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).