[3-(1-methoxyethoxy)-1,2-dihydropyridin-2-yl]methanol

C9H15NO3 — CID 173058055

IUPAC[3-(1-methoxyethoxy)-1,2-dihydropyridin-2-yl]methanol
SMILESCOC(C)OC1=CC=CNC1CO
InChIInChI=1S/C9H15NO3/c1-7(12-2)13-9-4-3-5-10-8(9)6-11/h3-5,7-8,10-11H,6H2,1-2H3
InChIKeySQTIXQFZNWVIFS-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.36
Rot. Bonds4

About [3-(1-methoxyethoxy)-1,2-dihydropyridin-2-yl]methanol

[3-(1-methoxyethoxy)-1,2-dihydropyridin-2-yl]methanol (PubChem CID 173058055) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is [3-(1-methoxyethoxy)-1,2-dihydropyridin-2-yl]methanol.

Molecular Properties

Compound Name[3-(1-methoxyethoxy)-1,2-dihydropyridin-2-yl]methanol
PubChem CID173058055
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name[3-(1-methoxyethoxy)-1,2-dihydropyridin-2-yl]methanol
SMILESCOC(C)OC1=CC=CNC1CO
InChIInChI=1S/C9H15NO3/c1-7(12-2)13-9-4-3-5-10-8(9)6-11/h3-5,7-8,10-11H,6H2,1-2H3
InChIKeySQTIXQFZNWVIFS-UHFFFAOYSA-N
XLogP0.36
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(1-methoxyethoxy)-1,2-dihydropyridin-2-yl]methanol?
The IUPAC name of [3-(1-methoxyethoxy)-1,2-dihydropyridin-2-yl]methanol (CID 173058055) is [3-(1-methoxyethoxy)-1,2-dihydropyridin-2-yl]methanol.
What is the SMILES notation for [3-(1-methoxyethoxy)-1,2-dihydropyridin-2-yl]methanol?
The canonical SMILES for [3-(1-methoxyethoxy)-1,2-dihydropyridin-2-yl]methanol is COC(C)OC1=CC=CNC1CO.
What is the InChIKey of [3-(1-methoxyethoxy)-1,2-dihydropyridin-2-yl]methanol?
The InChIKey is SQTIXQFZNWVIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-7(12-2)13-9-4-3-5-10-8(9)6-11/h3-5,7-8,10-11H,6H2,1-2H3.
What are the key properties of [3-(1-methoxyethoxy)-1,2-dihydropyridin-2-yl]methanol?
[3-(1-methoxyethoxy)-1,2-dihydropyridin-2-yl]methanol has a molecular weight of 185.22 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methoxyethoxy)-1,2-dihydropyridin-2-yl]methanol is sourced from PubChem (CID 173058055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).