1-[2-(4-methoxyphenyl)-4-pyridinyl]ethanone

C14H13NO2 — CID 141329056

IUPAC1-[2-(4-methoxyphenyl)-4-pyridinyl]ethanone
SMILESCOc1ccc(-c2cc(C(C)=O)ccn2)cc1
InChIInChI=1S/C14H13NO2/c1-10(16)12-7-8-15-14(9-12)11-3-5-13(17-2)6-4-11/h3-9H,1-2H3
InChIKeyKEVYDXYZMMHZBV-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.96
Rot. Bonds3

About 1-[2-(4-methoxyphenyl)-4-pyridinyl]ethanone

1-[2-(4-methoxyphenyl)-4-pyridinyl]ethanone (PubChem CID 141329056) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)-4-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)-4-pyridinyl]ethanone
PubChem CID141329056
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name1-[2-(4-methoxyphenyl)-4-pyridinyl]ethanone
SMILESCOc1ccc(-c2cc(C(C)=O)ccn2)cc1
InChIInChI=1S/C14H13NO2/c1-10(16)12-7-8-15-14(9-12)11-3-5-13(17-2)6-4-11/h3-9H,1-2H3
InChIKeyKEVYDXYZMMHZBV-UHFFFAOYSA-N
XLogP2.96
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-acetylphenyl)ethanone;1-methoxy-4-(4-methoxyphenyl)benzene;1-(4-methoxyphenyl)ethanone
CID 161177780
2-(4-ethoxyphenyl)pyridine-4-carboxylic acid
CID 50999400
2-N-(3-acetylphenyl)-4-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109093072
methyl 2-(4-ethylphenyl)pyridine-4-carboxylate
CID 172552381
1-(4-methoxyphenyl)ethanone;hydrochloride
CID 23164565
[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 90516875
1-[4-(6-methoxynaphthalen-2-yl)phenyl]ethanone;1-(4-methoxyphenyl)ethanone
CID 91415101
2-(4-methoxyphenyl)-4-(4-nitrophenyl)pyridine
CID 141380203
2-(3-acetylphenoxy)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 7937389
2,4,6-tris(4-methoxyphenyl)pyrimidine
CID 11784296
6-(4-methoxyphenyl)pyridazine-4-carboxylic acid
CID 121205221
(2S)-2-amino-3-[4-(4-methoxy-2-pyridinyl)phenyl]propanoic acid
CID 172529534

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)-4-pyridinyl]ethanone?
The IUPAC name of 1-[2-(4-methoxyphenyl)-4-pyridinyl]ethanone (CID 141329056) is 1-[2-(4-methoxyphenyl)-4-pyridinyl]ethanone.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)-4-pyridinyl]ethanone?
The canonical SMILES for 1-[2-(4-methoxyphenyl)-4-pyridinyl]ethanone is COc1ccc(-c2cc(C(C)=O)ccn2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)-4-pyridinyl]ethanone?
The InChIKey is KEVYDXYZMMHZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-10(16)12-7-8-15-14(9-12)11-3-5-13(17-2)6-4-11/h3-9H,1-2H3.
What are the key properties of 1-[2-(4-methoxyphenyl)-4-pyridinyl]ethanone?
1-[2-(4-methoxyphenyl)-4-pyridinyl]ethanone has a molecular weight of 227.26 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)-4-pyridinyl]ethanone is sourced from PubChem (CID 141329056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).