1-methoxy-4-pyridin-4-ylbutan-2-ol

C10H15NO2 — CID 79422011

IUPAC1-methoxy-4-pyridin-4-ylbutan-2-ol
SMILESCOCC(O)CCc1ccncc1
InChIInChI=1S/C10H15NO2/c1-13-8-10(12)3-2-9-4-6-11-7-5-9/h4-7,10,12H,2-3,8H2,1H3
InChIKeyJTUXXYZHEBFILA-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.02
Rot. Bonds5

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

1-methoxy-4-pyridin-4-ylbutan-2-ol (PubChem CID 79422011) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-methoxy-4-pyridin-4-ylbutan-2-ol.

Molecular Properties

Compound Name1-methoxy-4-pyridin-4-ylbutan-2-ol
PubChem CID79422011
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name1-methoxy-4-pyridin-4-ylbutan-2-ol
SMILESCOCC(O)CCc1ccncc1
InChIInChI=1S/C10H15NO2/c1-13-8-10(12)3-2-9-4-6-11-7-5-9/h4-7,10,12H,2-3,8H2,1H3
InChIKeyJTUXXYZHEBFILA-UHFFFAOYSA-N
XLogP1.02
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethoxy-4-pyridin-4-ylbutan-2-ol
CID 105111732
1-methoxy-4-pyridin-3-ylbutan-2-ol
CID 21334956
6-methyl-1-pyridin-4-ylheptan-3-ol
CID 105085467
1-methoxy-3-[methyl(pyridin-4-ylmethyl)amino]propan-2-ol
CID 62016328
4-(3,4-dimethoxyphenyl)-1-methoxybutan-2-ol
CID 79422604
1-[4-(6-methoxy-2-pyridinyl)phenoxy]-4-pyridin-4-ylbutan-2-ol
CID 54102677
1-(2-fluoro-3-methoxyphenyl)-4-pyridin-4-ylbutan-2-ol
CID 105125656
1-(2-methoxyethoxy)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-2-ol
CID 106991778
1-(5-ethylthiophen-2-yl)-4-pyridin-4-ylbutan-2-ol
CID 105087600
(6-methoxy-1-pyridin-4-ylhexan-3-yl)hydrazine
CID 105342589
1-(2-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridin-4-ylbutan-2-ol
CID 105107794
1-methoxy-3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine
CID 65049563

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-pyridin-4-ylbutan-2-ol?
The IUPAC name of 1-methoxy-4-pyridin-4-ylbutan-2-ol (CID 79422011) is 1-methoxy-4-pyridin-4-ylbutan-2-ol.
What is the SMILES notation for 1-methoxy-4-pyridin-4-ylbutan-2-ol?
The canonical SMILES for 1-methoxy-4-pyridin-4-ylbutan-2-ol is COCC(O)CCc1ccncc1.
What is the InChIKey of 1-methoxy-4-pyridin-4-ylbutan-2-ol?
The InChIKey is JTUXXYZHEBFILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-13-8-10(12)3-2-9-4-6-11-7-5-9/h4-7,10,12H,2-3,8H2,1H3.
What are the key properties of 1-methoxy-4-pyridin-4-ylbutan-2-ol?
1-methoxy-4-pyridin-4-ylbutan-2-ol has a molecular weight of 181.24 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-pyridin-4-ylbutan-2-ol is sourced from PubChem (CID 79422011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).