2-(5-ethoxy-3-pyridinyl)-4-methylphenol

C14H15NO2 — CID 83131203

IUPAC2-(5-ethoxy-3-pyridinyl)-4-methylphenol
SMILESCCOc1cncc(-c2cc(C)ccc2O)c1
InChIInChI=1S/C14H15NO2/c1-3-17-12-7-11(8-15-9-12)13-6-10(2)4-5-14(13)16/h4-9,16H,3H2,1-2H3
InChIKeyZNDKLYWNLJZAKK-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.16
Rot. Bonds3

About 2-(5-ethoxy-3-pyridinyl)-4-methylphenol

2-(5-ethoxy-3-pyridinyl)-4-methylphenol (PubChem CID 83131203) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(5-ethoxy-3-pyridinyl)-4-methylphenol.

Molecular Properties

Compound Name2-(5-ethoxy-3-pyridinyl)-4-methylphenol
PubChem CID83131203
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name2-(5-ethoxy-3-pyridinyl)-4-methylphenol
SMILESCCOc1cncc(-c2cc(C)ccc2O)c1
InChIInChI=1S/C14H15NO2/c1-3-17-12-7-11(8-15-9-12)13-6-10(2)4-5-14(13)16/h4-9,16H,3H2,1-2H3
InChIKeyZNDKLYWNLJZAKK-UHFFFAOYSA-N
XLogP3.16
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Hexyl-2-pyridin-3-yloxyphenol
CID 44450159
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-phenyl-pyridine
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3-(4-Methoxy-phenyl)-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridine
CID 15480238
alpha-(4-Methoxyphenyl)-2-pyridinemethanol
CID 99004
1-[4-(2,4-Dipentylphenoxy)butyl]-3-methylpyridin-1-ium chloride
CID 16192713
5-(6-Methoxynaphthalen-2-yl)pyridin-3-ol
CID 25034344
3-Ethoxy-5-(6-methoxynaphthalen-2-yl)pyridine
CID 25034346
3-(4-Butoxy-phenyl)-pyridine
CID 11817019
2-(4-Methoxyphenyl)pyridin-3-ol
CID 843960
US10155760, Example 46
CID 118429750
US9682910, 4-((2-Methoxypyridin-3-yl)methyl)benzene-1,3-diol (8)
CID 44611571
3-Benzyloxypyridine
CID 10012635

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethoxy-3-pyridinyl)-4-methylphenol?
The IUPAC name of 2-(5-ethoxy-3-pyridinyl)-4-methylphenol (CID 83131203) is 2-(5-ethoxy-3-pyridinyl)-4-methylphenol.
What is the SMILES notation for 2-(5-ethoxy-3-pyridinyl)-4-methylphenol?
The canonical SMILES for 2-(5-ethoxy-3-pyridinyl)-4-methylphenol is CCOc1cncc(-c2cc(C)ccc2O)c1.
What is the InChIKey of 2-(5-ethoxy-3-pyridinyl)-4-methylphenol?
The InChIKey is ZNDKLYWNLJZAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-3-17-12-7-11(8-15-9-12)13-6-10(2)4-5-14(13)16/h4-9,16H,3H2,1-2H3.
What are the key properties of 2-(5-ethoxy-3-pyridinyl)-4-methylphenol?
2-(5-ethoxy-3-pyridinyl)-4-methylphenol has a molecular weight of 229.28 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethoxy-3-pyridinyl)-4-methylphenol is sourced from PubChem (CID 83131203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).