[3-[2-(2-methoxyphenoxy)ethoxy]-6-methyl-2-pyridinyl]methanol

C16H19NO4 — CID 79158678

IUPAC[3-[2-(2-methoxyphenoxy)ethoxy]-6-methyl-2-pyridinyl]methanol
SMILESCOc1ccccc1OCCOc1ccc(C)nc1CO
InChIInChI=1S/C16H19NO4/c1-12-7-8-14(13(11-18)17-12)20-9-10-21-16-6-4-3-5-15(16)19-2/h3-8,18H,9-11H2,1-2H3
InChIKeyPTEQSRZTEQXERE-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.35
Rot. Bonds7

About [3-[2-(2-methoxyphenoxy)ethoxy]-6-methyl-2-pyridinyl]methanol

[3-[2-(2-methoxyphenoxy)ethoxy]-6-methyl-2-pyridinyl]methanol (PubChem CID 79158678) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is [3-[2-(2-methoxyphenoxy)ethoxy]-6-methyl-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-[2-(2-methoxyphenoxy)ethoxy]-6-methyl-2-pyridinyl]methanol
PubChem CID79158678
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name[3-[2-(2-methoxyphenoxy)ethoxy]-6-methyl-2-pyridinyl]methanol
SMILESCOc1ccccc1OCCOc1ccc(C)nc1CO
InChIInChI=1S/C16H19NO4/c1-12-7-8-14(13(11-18)17-12)20-9-10-21-16-6-4-3-5-15(16)19-2/h3-8,18H,9-11H2,1-2H3
InChIKeyPTEQSRZTEQXERE-UHFFFAOYSA-N
XLogP2.35
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-(3-methoxypropoxy)-6-methyl-2-pyridinyl]methanol
CID 79157840
[6-methyl-3-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methanol
CID 79158019
[3-[3-(dimethylamino)propoxy]-6-methyl-2-pyridinyl]methanol
CID 114525688
[6-methyl-3-(3,3,3-trifluoropropoxy)-2-pyridinyl]methanol
CID 79158379
4-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-2-methylbutan-2-ol
CID 79356219
[3-(2-cyclopropylethoxy)-6-methyl-2-pyridinyl]methanol
CID 79156315
[6-methyl-3-(quinolin-2-ylmethoxy)-2-pyridinyl]methanol
CID 79157803
2-[2-[2-(2-methoxyphenoxy)ethoxy]ethoxy]ethanol
CID 15049023
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]butan-1-ol
CID 103175334
2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-methylacetamide
CID 79157830
2-(chloromethyl)-6-methyl-3-(2-phenoxyethoxy)pyridine
CID 79168619
2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxymethyl]benzonitrile
CID 79158871

Frequently Asked Questions

What is the IUPAC name of [3-[2-(2-methoxyphenoxy)ethoxy]-6-methyl-2-pyridinyl]methanol?
The IUPAC name of [3-[2-(2-methoxyphenoxy)ethoxy]-6-methyl-2-pyridinyl]methanol (CID 79158678) is [3-[2-(2-methoxyphenoxy)ethoxy]-6-methyl-2-pyridinyl]methanol.
What is the SMILES notation for [3-[2-(2-methoxyphenoxy)ethoxy]-6-methyl-2-pyridinyl]methanol?
The canonical SMILES for [3-[2-(2-methoxyphenoxy)ethoxy]-6-methyl-2-pyridinyl]methanol is COc1ccccc1OCCOc1ccc(C)nc1CO.
What is the InChIKey of [3-[2-(2-methoxyphenoxy)ethoxy]-6-methyl-2-pyridinyl]methanol?
The InChIKey is PTEQSRZTEQXERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-12-7-8-14(13(11-18)17-12)20-9-10-21-16-6-4-3-5-15(16)19-2/h3-8,18H,9-11H2,1-2H3.
What are the key properties of [3-[2-(2-methoxyphenoxy)ethoxy]-6-methyl-2-pyridinyl]methanol?
[3-[2-(2-methoxyphenoxy)ethoxy]-6-methyl-2-pyridinyl]methanol has a molecular weight of 289.33 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(2-methoxyphenoxy)ethoxy]-6-methyl-2-pyridinyl]methanol is sourced from PubChem (CID 79158678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).