1-(3-methoxyphenyl)pyridin-4-one

C12H11NO2 — CID 86100298

IUPAC1-(3-methoxyphenyl)pyridin-4-one
SMILESCOc1cccc(-n2ccc(=O)cc2)c1
InChIInChI=1S/C12H11NO2/c1-15-12-4-2-3-10(9-12)13-7-5-11(14)6-8-13/h2-9H,1H3
InChIKeyGCQCIAZQXXFIKL-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.85
Rot. Bonds2

About 1-(3-methoxyphenyl)pyridin-4-one

1-(3-methoxyphenyl)pyridin-4-one (PubChem CID 86100298) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)pyridin-4-one.

Molecular Properties

Compound Name1-(3-methoxyphenyl)pyridin-4-one
PubChem CID86100298
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name1-(3-methoxyphenyl)pyridin-4-one
SMILESCOc1cccc(-n2ccc(=O)cc2)c1
InChIInChI=1S/C12H11NO2/c1-15-12-4-2-3-10(9-12)13-7-5-11(14)6-8-13/h2-9H,1H3
InChIKeyGCQCIAZQXXFIKL-UHFFFAOYSA-N
XLogP1.85
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)pyrimidine-2,4-dione
CID 121216485
(3R,4R)-3-amino-1-(3-methoxyphenyl)-4-methylazetidin-2-one
CID 124676535
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
azane;1,3-dimethoxybenzene
CID 70210283
CID 172849383
CID 172849383
4-(3-methoxyphenyl)piperazine-2,6-dione
CID 63788375
1-(3-methoxyphenyl)-3-sulfanylpyrrolidin-2-one
CID 58957147
6-amino-3-(3-methoxyphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 115003951
1-(3-methoxyphenyl)-3-methylpyrrole-2,5-dione
CID 880984
2-(3-methoxyphenyl)-5-methyl-1H-pyrazol-3-one
CID 54414073
(4S)-3-(3-methoxyphenyl)-4-phenyl-1,3-oxazolidin-2-one
CID 34179074
calcium;1,3-dimethoxybenzene;hydride
CID 174808068

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)pyridin-4-one?
The IUPAC name of 1-(3-methoxyphenyl)pyridin-4-one (CID 86100298) is 1-(3-methoxyphenyl)pyridin-4-one.
What is the SMILES notation for 1-(3-methoxyphenyl)pyridin-4-one?
The canonical SMILES for 1-(3-methoxyphenyl)pyridin-4-one is COc1cccc(-n2ccc(=O)cc2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)pyridin-4-one?
The InChIKey is GCQCIAZQXXFIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-15-12-4-2-3-10(9-12)13-7-5-11(14)6-8-13/h2-9H,1H3.
What are the key properties of 1-(3-methoxyphenyl)pyridin-4-one?
1-(3-methoxyphenyl)pyridin-4-one has a molecular weight of 201.22 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)pyridin-4-one is sourced from PubChem (CID 86100298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).