1-[2-(4-methoxyphenyl)-2-oxoethyl]-4-methylpyridin-2-one

C15H15NO3 — CID 62963387

IUPAC1-[2-(4-methoxyphenyl)-2-oxoethyl]-4-methylpyridin-2-one
SMILESCOc1ccc(C(=O)Cn2ccc(C)cc2=O)cc1
InChIInChI=1S/C15H15NO3/c1-11-7-8-16(15(18)9-11)10-14(17)12-3-5-13(19-2)6-4-12/h3-9H,10H2,1-2H3
InChIKeyNYHZRFSNVCLREC-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.05
Rot. Bonds4

About 1-[2-(4-methoxyphenyl)-2-oxoethyl]-4-methylpyridin-2-one

1-[2-(4-methoxyphenyl)-2-oxoethyl]-4-methylpyridin-2-one (PubChem CID 62963387) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)-2-oxoethyl]-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)-2-oxoethyl]-4-methylpyridin-2-one
PubChem CID62963387
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name1-[2-(4-methoxyphenyl)-2-oxoethyl]-4-methylpyridin-2-one
SMILESCOc1ccc(C(=O)Cn2ccc(C)cc2=O)cc1
InChIInChI=1S/C15H15NO3/c1-11-7-8-16(15(18)9-11)10-14(17)12-3-5-13(19-2)6-4-12/h3-9H,10H2,1-2H3
InChIKeyNYHZRFSNVCLREC-UHFFFAOYSA-N
XLogP2.05
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-methoxyphenyl)-2-oxoethyl]pyridin-2-one
CID 3613551
methyl 2-(4-methyl-2-oxo-1-pyridinyl)acetate
CID 59562280
2-(5-chloroindol-1-yl)-1-(4-methoxyphenyl)ethanone
CID 63878855
5-bromo-1-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methylpyridin-2-one
CID 83133721
methyl 2-(4-methyl-2-oxo-1-pyridinyl)acetate;2-(4-methyl-2-oxo-1-pyridinyl)acetic acid
CID 160822702
1-[2-(2,6-difluorophenyl)-2-oxoethyl]-4-methylpyridin-2-one
CID 55153497
1-[2-(4-methylphenyl)-2-oxoethyl]pyridin-2-one
CID 3802743
2-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 62019528
1-[(4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 80502819
6-methoxy-2-[2-(4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
CID 105061881
2-(2-imino-1,3-thiazol-3-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide
CID 44789313
4-[2-(5-methylindol-1-yl)acetyl]benzonitrile
CID 63554605

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)-2-oxoethyl]-4-methylpyridin-2-one?
The IUPAC name of 1-[2-(4-methoxyphenyl)-2-oxoethyl]-4-methylpyridin-2-one (CID 62963387) is 1-[2-(4-methoxyphenyl)-2-oxoethyl]-4-methylpyridin-2-one.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)-2-oxoethyl]-4-methylpyridin-2-one?
The canonical SMILES for 1-[2-(4-methoxyphenyl)-2-oxoethyl]-4-methylpyridin-2-one is COc1ccc(C(=O)Cn2ccc(C)cc2=O)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)-2-oxoethyl]-4-methylpyridin-2-one?
The InChIKey is NYHZRFSNVCLREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-11-7-8-16(15(18)9-11)10-14(17)12-3-5-13(19-2)6-4-12/h3-9H,10H2,1-2H3.
What are the key properties of 1-[2-(4-methoxyphenyl)-2-oxoethyl]-4-methylpyridin-2-one?
1-[2-(4-methoxyphenyl)-2-oxoethyl]-4-methylpyridin-2-one has a molecular weight of 257.29 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)-2-oxoethyl]-4-methylpyridin-2-one is sourced from PubChem (CID 62963387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).