1-ethoxy-4-pyridin-4-ylbutan-2-ol

C11H17NO2 — CID 105111732

IUPAC1-ethoxy-4-pyridin-4-ylbutan-2-ol
SMILESCCOCC(O)CCc1ccncc1
InChIInChI=1S/C11H17NO2/c1-2-14-9-11(13)4-3-10-5-7-12-8-6-10/h5-8,11,13H,2-4,9H2,1H3
InChIKeyDNYYAOVJNIHJPA-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.41
Rot. Bonds6

About 1-ethoxy-4-pyridin-4-ylbutan-2-ol

1-ethoxy-4-pyridin-4-ylbutan-2-ol (PubChem CID 105111732) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-ethoxy-4-pyridin-4-ylbutan-2-ol.

Molecular Properties

Compound Name1-ethoxy-4-pyridin-4-ylbutan-2-ol
PubChem CID105111732
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-ethoxy-4-pyridin-4-ylbutan-2-ol
SMILESCCOCC(O)CCc1ccncc1
InChIInChI=1S/C11H17NO2/c1-2-14-9-11(13)4-3-10-5-7-12-8-6-10/h5-8,11,13H,2-4,9H2,1H3
InChIKeyDNYYAOVJNIHJPA-UHFFFAOYSA-N
XLogP1.41
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-4-pyridin-4-ylbutan-2-ol
CID 79422011
6-methyl-1-pyridin-4-ylheptan-3-ol
CID 105085467
1-ethoxy-4-(3-methylphenyl)butan-2-ol
CID 105111845
1-(5-ethylthiophen-2-yl)-4-pyridin-4-ylbutan-2-ol
CID 105087600
4-pyridin-4-ylbutan-2-amine;hydrobromide
CID 122657673
1-ethoxypentan-2-ol
CID 21201051
(2R)-1-pyridin-4-ylbutan-2-ol
CID 94470888
1-[4-(6-methoxy-2-pyridinyl)phenoxy]-4-pyridin-4-ylbutan-2-ol
CID 54102677
1-methoxy-4-pyridin-3-ylbutan-2-ol
CID 21334956
1-pyridin-4-ylhexan-3-amine
CID 105080578
1-(2-propan-2-yloxyethoxy)-3-(2-pyridin-4-ylethylamino)propan-2-ol
CID 60908753
1-(2-fluoro-3-methoxyphenyl)-4-pyridin-4-ylbutan-2-ol
CID 105125656

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-pyridin-4-ylbutan-2-ol?
The IUPAC name of 1-ethoxy-4-pyridin-4-ylbutan-2-ol (CID 105111732) is 1-ethoxy-4-pyridin-4-ylbutan-2-ol.
What is the SMILES notation for 1-ethoxy-4-pyridin-4-ylbutan-2-ol?
The canonical SMILES for 1-ethoxy-4-pyridin-4-ylbutan-2-ol is CCOCC(O)CCc1ccncc1.
What is the InChIKey of 1-ethoxy-4-pyridin-4-ylbutan-2-ol?
The InChIKey is DNYYAOVJNIHJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-2-14-9-11(13)4-3-10-5-7-12-8-6-10/h5-8,11,13H,2-4,9H2,1H3.
What are the key properties of 1-ethoxy-4-pyridin-4-ylbutan-2-ol?
1-ethoxy-4-pyridin-4-ylbutan-2-ol has a molecular weight of 195.26 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-pyridin-4-ylbutan-2-ol is sourced from PubChem (CID 105111732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).