3-(3-ethoxyphenyl)-1H-pyridin-2-one

C13H13NO2 — CID 53217766

IUPAC3-(3-ethoxyphenyl)-1H-pyridin-2-one
SMILESCCOc1cccc(-c2ccc[nH]c2=O)c1
InChIInChI=1S/C13H13NO2/c1-2-16-11-6-3-5-10(9-11)12-7-4-8-14-13(12)15/h3-9H,2H2,1H3,(H,14,15)
InChIKeyRNVWGFSXSBQCFQ-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.44
Rot. Bonds3

About 3-(3-ethoxyphenyl)-1H-pyridin-2-one

3-(3-ethoxyphenyl)-1H-pyridin-2-one (PubChem CID 53217766) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-(3-ethoxyphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(3-ethoxyphenyl)-1H-pyridin-2-one
PubChem CID53217766
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name3-(3-ethoxyphenyl)-1H-pyridin-2-one
SMILESCCOc1cccc(-c2ccc[nH]c2=O)c1
InChIInChI=1S/C13H13NO2/c1-2-16-11-6-3-5-10(9-11)12-7-4-8-14-13(12)15/h3-9H,2H2,1H3,(H,14,15)
InChIKeyRNVWGFSXSBQCFQ-UHFFFAOYSA-N
XLogP2.44
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-ethylphenyl)-1H-pyridin-2-one
CID 57202866
CID 88533014
CID 88533014
2-(3-ethoxyphenyl)aniline
CID 57482711
2-(3-ethoxyphenyl)-6-fluoroaniline
CID 107602864
1-ethenyl-2-(3-ethoxyphenyl)benzene
CID 151818646
3-(3-ethoxyphenyl)-1H-pyrazine-2-thione
CID 106519902
3-(3-ethoxyphenyl)-2-methylbenzoic acid
CID 53226301
3-(3-ethoxyphenyl)-1-methyl-5-phenylpyridin-4-one
CID 12879399
3-(bromomethyl)-6-(3-ethoxyphenyl)-1H-pyridin-2-one
CID 82518417
3-(3-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 82445938
6-(3-ethoxyphenyl)-3-(hydroxymethyl)-1H-pyridin-2-one
CID 82518431
2-(3-ethoxyphenyl)-6-methoxyphenol
CID 83130790

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxyphenyl)-1H-pyridin-2-one?
The IUPAC name of 3-(3-ethoxyphenyl)-1H-pyridin-2-one (CID 53217766) is 3-(3-ethoxyphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(3-ethoxyphenyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(3-ethoxyphenyl)-1H-pyridin-2-one is CCOc1cccc(-c2ccc[nH]c2=O)c1.
What is the InChIKey of 3-(3-ethoxyphenyl)-1H-pyridin-2-one?
The InChIKey is RNVWGFSXSBQCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-2-16-11-6-3-5-10(9-11)12-7-4-8-14-13(12)15/h3-9H,2H2,1H3,(H,14,15).
What are the key properties of 3-(3-ethoxyphenyl)-1H-pyridin-2-one?
3-(3-ethoxyphenyl)-1H-pyridin-2-one has a molecular weight of 215.25 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxyphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 53217766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).