1-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropan-1-ol

C12H19NO3 — CID 15067080

IUPAC1-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropan-1-ol
SMILESCOCCOc1ccc(C(O)C(C)C)cn1
InChIInChI=1S/C12H19NO3/c1-9(2)12(14)10-4-5-11(13-8-10)16-7-6-15-3/h4-5,8-9,12,14H,6-7H2,1-3H3
InChIKeyPMLWLWSVXCMPDI-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.80
Rot. Bonds6

About 1-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropan-1-ol

1-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropan-1-ol (PubChem CID 15067080) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropan-1-ol
PubChem CID15067080
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name1-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropan-1-ol
SMILESCOCCOc1ccc(C(O)C(C)C)cn1
InChIInChI=1S/C12H19NO3/c1-9(2)12(14)10-4-5-11(13-8-10)16-7-6-15-3/h4-5,8-9,12,14H,6-7H2,1-3H3
InChIKeyPMLWLWSVXCMPDI-UHFFFAOYSA-N
XLogP1.80
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(6-methoxy-3-pyridinyl)-2-methylbutan-1-ol
CID 114938063
2-methoxy-1-(6-methoxy-3-pyridinyl)ethanol
CID 114937935
1-(6-methoxy-3-pyridinyl)-2-nitropropan-1-ol
CID 59339701
5-(3,3-dimethylbutan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine
CID 139545732
methyl 4-(6-ethoxy-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171895710
(2S,3R)-4-methoxy-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-methylbutan-2-amine
CID 97341149
2-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]propanamide
CID 43704147
ethane;5-ethyl-2-(2-methoxyethoxy)pyridine
CID 144506975
1-[(5-propan-2-yl-2-pyridinyl)oxy]propan-2-ol
CID 170389360
6-(2-methoxyethoxy)-N-(3-methylbutyl)pyridin-3-amine
CID 43688362
3-amino-1-(6-ethoxy-3-pyridinyl)propane-1,2-diol
CID 170828157
ethyl (2S,3R)-2-amino-3-hydroxy-3-(6-methoxy-3-pyridinyl)propanoate
CID 124593930

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropan-1-ol?
The IUPAC name of 1-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropan-1-ol (CID 15067080) is 1-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropan-1-ol.
What is the SMILES notation for 1-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropan-1-ol?
The canonical SMILES for 1-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropan-1-ol is COCCOc1ccc(C(O)C(C)C)cn1.
What is the InChIKey of 1-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropan-1-ol?
The InChIKey is PMLWLWSVXCMPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-9(2)12(14)10-4-5-11(13-8-10)16-7-6-15-3/h4-5,8-9,12,14H,6-7H2,1-3H3.
What are the key properties of 1-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropan-1-ol?
1-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropan-1-ol has a molecular weight of 225.29 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropan-1-ol is sourced from PubChem (CID 15067080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).