1-propoxy-4-pyridin-2-ylbutan-2-ol

C12H19NO2 — CID 105112007

IUPAC1-propoxy-4-pyridin-2-ylbutan-2-ol
SMILESCCCOCC(O)CCc1ccccn1
InChIInChI=1S/C12H19NO2/c1-2-9-15-10-12(14)7-6-11-5-3-4-8-13-11/h3-5,8,12,14H,2,6-7,9-10H2,1H3
InChIKeyVPRYHLCMUVOTJW-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.80
Rot. Bonds7

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

1-propoxy-4-pyridin-2-ylbutan-2-ol (PubChem CID 105112007) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-propoxy-4-pyridin-2-ylbutan-2-ol.

Molecular Properties

Compound Name1-propoxy-4-pyridin-2-ylbutan-2-ol
PubChem CID105112007
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-propoxy-4-pyridin-2-ylbutan-2-ol
SMILESCCCOCC(O)CCc1ccccn1
InChIInChI=1S/C12H19NO2/c1-2-9-15-10-12(14)7-6-11-5-3-4-8-13-11/h3-5,8,12,14H,2,6-7,9-10H2,1H3
InChIKeyVPRYHLCMUVOTJW-UHFFFAOYSA-N
XLogP1.80
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.80
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

1-[3-(2-pyridin-2-ylethylsulfanyl)propoxy]pentan-2-ol
CID 175519031
1-(4-ethylphenyl)-4-pyridin-2-ylbutan-2-ol
CID 105080302
1-hexoxy-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60633804
1-(4-aminophenoxy)-3-(2-pyridin-2-ylethoxy)propan-2-ol
CID 62269338
1-(cyclopropylamino)-3-(2-pyridin-2-ylethoxy)propan-2-ol
CID 43166281
2-(3-methyloctyl)pyridine;hydrochloride
CID 172780204
1-ethoxy-4-pyridin-2-ylbutan-2-amine
CID 105165178
1-(3-propylphenyl)-3-pyridin-2-ylpropan-1-ol
CID 105131085
1-(4-methylpentoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60633849
1-[3-(2-pyridin-2-ylethylsulfanyl)propoxy]propan-2-ol
CID 175519037
1-[methyl(2-pyridin-2-ylethyl)amino]pentan-2-ol
CID 62042147
(2R)-5-pyridin-2-ylpentan-2-ol
CID 149104953

Frequently Asked Questions

What is the IUPAC name of 1-propoxy-4-pyridin-2-ylbutan-2-ol?
The IUPAC name of 1-propoxy-4-pyridin-2-ylbutan-2-ol (CID 105112007) is 1-propoxy-4-pyridin-2-ylbutan-2-ol.
What is the SMILES notation for 1-propoxy-4-pyridin-2-ylbutan-2-ol?
The canonical SMILES for 1-propoxy-4-pyridin-2-ylbutan-2-ol is CCCOCC(O)CCc1ccccn1.
What is the InChIKey of 1-propoxy-4-pyridin-2-ylbutan-2-ol?
The InChIKey is VPRYHLCMUVOTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-2-9-15-10-12(14)7-6-11-5-3-4-8-13-11/h3-5,8,12,14H,2,6-7,9-10H2,1H3.
What are the key properties of 1-propoxy-4-pyridin-2-ylbutan-2-ol?
1-propoxy-4-pyridin-2-ylbutan-2-ol has a molecular weight of 209.29 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propoxy-4-pyridin-2-ylbutan-2-ol is sourced from PubChem (CID 105112007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).