1-(4-Methoxyphenyl)-2-(pyridin-2-yl)ethanone

C14H13NO2 — CID 238350

IUPAC1-(4-methoxyphenyl)-2-pyridin-2-ylethanone
SMILESCOC1=CC=C(C=C1)C(=O)CC2=CC=CC=N2
InChIInChI=1S/C14H13NO2/c1-17-13-7-5-11(6-8-13)14(16)10-12-4-2-3-9-15-12/h2-9H,10H2,1H3
InChIKeyYDDIGUFGIDJEEM-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.10
Rot. Bonds4

About 1-(4-Methoxyphenyl)-2-(pyridin-2-yl)ethanone

1-(4-Methoxyphenyl)-2-(pyridin-2-yl)ethanone (PubChem CID 238350) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-(4-Methoxyphenyl)-2-(pyridin-2-yl)ethanone
PubChem CID238350
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name1-(4-methoxyphenyl)-2-pyridin-2-ylethanone
SMILESCOC1=CC=C(C=C1)C(=O)CC2=CC=CC=N2
InChIInChI=1S/C14H13NO2/c1-17-13-7-5-11(6-8-13)14(16)10-12-4-2-3-9-15-12/h2-9H,10H2,1H3
InChIKeyYDDIGUFGIDJEEM-UHFFFAOYSA-N
XLogP2.10
TPSA39.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity247

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-Methoxyphenyl)-2-(pyridin-2-yl)ethanone?
The IUPAC name of 1-(4-Methoxyphenyl)-2-(pyridin-2-yl)ethanone (CID 238350) is 1-(4-methoxyphenyl)-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-(4-Methoxyphenyl)-2-(pyridin-2-yl)ethanone?
The canonical SMILES for 1-(4-Methoxyphenyl)-2-(pyridin-2-yl)ethanone is COC1=CC=C(C=C1)C(=O)CC2=CC=CC=N2.
What is the InChIKey of 1-(4-Methoxyphenyl)-2-(pyridin-2-yl)ethanone?
The InChIKey is YDDIGUFGIDJEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-17-13-7-5-11(6-8-13)14(16)10-12-4-2-3-9-15-12/h2-9H,10H2,1H3.
What are the key properties of 1-(4-Methoxyphenyl)-2-(pyridin-2-yl)ethanone?
1-(4-Methoxyphenyl)-2-(pyridin-2-yl)ethanone has a molecular weight of 227.26 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-Methoxyphenyl)-2-(pyridin-2-yl)ethanone is sourced from PubChem (CID 238350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).