1-methoxy-4-pyridin-3-ylbutan-2-ol

C10H15NO2 — CID 21334956

IUPAC1-methoxy-4-pyridin-3-ylbutan-2-ol
SMILESCOCC(O)CCc1cccnc1
InChIInChI=1S/C10H15NO2/c1-13-8-10(12)5-4-9-3-2-6-11-7-9/h2-3,6-7,10,12H,4-5,8H2,1H3
InChIKeyBZOJXUNWRBRIDV-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.02
Rot. Bonds5

About 1-methoxy-4-pyridin-3-ylbutan-2-ol

1-methoxy-4-pyridin-3-ylbutan-2-ol (PubChem CID 21334956) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-methoxy-4-pyridin-3-ylbutan-2-ol.

Molecular Properties

Compound Name1-methoxy-4-pyridin-3-ylbutan-2-ol
PubChem CID21334956
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name1-methoxy-4-pyridin-3-ylbutan-2-ol
SMILESCOCC(O)CCc1cccnc1
InChIInChI=1S/C10H15NO2/c1-13-8-10(12)5-4-9-3-2-6-11-7-9/h2-3,6-7,10,12H,4-5,8H2,1H3
InChIKeyBZOJXUNWRBRIDV-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-methoxy-4-pyridin-4-ylbutan-2-ol
CID 79422011
1-pyridin-3-ylundecan-3-ol
CID 105085819
(3S)-1-pyridin-3-ylhex-5-en-3-ol
CID 124576146
2-methyl-5-pyridin-3-ylpent-1-en-3-ol
CID 105110580
1-(1-methoxypropan-2-yloxy)-3-(2-pyridin-3-ylethylamino)propan-2-ol
CID 106989465
(2S)-1-(6-bromonaphthalen-2-yl)oxy-4-pyridin-3-ylbutan-2-ol
CID 70240277
1-(4-chlorophenyl)-4-pyridin-3-ylbutan-2-ol
CID 105076712
(2S)-5-pyridin-3-ylpentan-2-ol
CID 10899042
4-propan-2-yloxy-1-pyridin-3-ylbutan-2-ol
CID 114998518
fluoro 5-hydroxy-7-pyridin-3-ylheptanoate
CID 174893409
1-(3-ethylphenyl)-3-pyridin-3-ylpropan-1-ol
CID 105117283
(2R)-1-(2-chloro-4-phenylphenoxy)-4-pyridin-3-ylbutan-2-ol
CID 54290314

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-pyridin-3-ylbutan-2-ol?
The IUPAC name of 1-methoxy-4-pyridin-3-ylbutan-2-ol (CID 21334956) is 1-methoxy-4-pyridin-3-ylbutan-2-ol.
What is the SMILES notation for 1-methoxy-4-pyridin-3-ylbutan-2-ol?
The canonical SMILES for 1-methoxy-4-pyridin-3-ylbutan-2-ol is COCC(O)CCc1cccnc1.
What is the InChIKey of 1-methoxy-4-pyridin-3-ylbutan-2-ol?
The InChIKey is BZOJXUNWRBRIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-13-8-10(12)5-4-9-3-2-6-11-7-9/h2-3,6-7,10,12H,4-5,8H2,1H3.
What are the key properties of 1-methoxy-4-pyridin-3-ylbutan-2-ol?
1-methoxy-4-pyridin-3-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-3-ylbutan-2-ol is sourced from PubChem (CID 21334956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).