1-[2-(4-acetylphenoxy)ethyl]pyridin-2-one

C15H15NO3 — CID 78986348

IUPAC1-[2-(4-acetylphenoxy)ethyl]pyridin-2-one
SMILESCC(=O)c1ccc(OCCn2ccccc2=O)cc1
InChIInChI=1S/C15H15NO3/c1-12(17)13-5-7-14(8-6-13)19-11-10-16-9-3-2-4-15(16)18/h2-9H,10-11H2,1H3
InChIKeyBNTQCPHBVDMWAZ-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.13
Rot. Bonds5

About 1-[2-(4-acetylphenoxy)ethyl]pyridin-2-one

1-[2-(4-acetylphenoxy)ethyl]pyridin-2-one (PubChem CID 78986348) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-[2-(4-acetylphenoxy)ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(4-acetylphenoxy)ethyl]pyridin-2-one
PubChem CID78986348
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name1-[2-(4-acetylphenoxy)ethyl]pyridin-2-one
SMILESCC(=O)c1ccc(OCCn2ccccc2=O)cc1
InChIInChI=1S/C15H15NO3/c1-12(17)13-5-7-14(8-6-13)19-11-10-16-9-3-2-4-15(16)18/h2-9H,10-11H2,1H3
InChIKeyBNTQCPHBVDMWAZ-UHFFFAOYSA-N
XLogP2.13
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[4-(3-oxobutyl)phenoxy]ethyl]pyridin-2-one
CID 82898830
1-[2-(4-acetyl-2-fluorophenoxy)ethyl]pyridin-2-one
CID 115610630
2-methyl-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzoic acid
CID 107671050
2-[4-[2-(2-oxo-1-pyridinyl)ethoxy]phenyl]acetonitrile
CID 43289160
1-[2-(4-acetylphenoxy)ethyl]pyrrole-2,5-dione
CID 139985290
1-[1-(2-phenoxyethyl)pyrrol-2-yl]ethanone
CID 79107007
1-[4-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]ethanone
CID 39201900
1-[2-[4-(4-chlorobut-1-ynyl)phenoxy]ethyl]pyridin-2-one
CID 82899386
methyl 3-amino-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzoate
CID 82899166
1-[2-(2-acetyl-6-amino-4-bromophenoxy)ethyl]pyridin-2-one
CID 116541213
1-[4-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]ethanone
CID 7380342
1-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]pyridin-2-one
CID 78863276

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-acetylphenoxy)ethyl]pyridin-2-one?
The IUPAC name of 1-[2-(4-acetylphenoxy)ethyl]pyridin-2-one (CID 78986348) is 1-[2-(4-acetylphenoxy)ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(4-acetylphenoxy)ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(4-acetylphenoxy)ethyl]pyridin-2-one is CC(=O)c1ccc(OCCn2ccccc2=O)cc1.
What is the InChIKey of 1-[2-(4-acetylphenoxy)ethyl]pyridin-2-one?
The InChIKey is BNTQCPHBVDMWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-12(17)13-5-7-14(8-6-13)19-11-10-16-9-3-2-4-15(16)18/h2-9H,10-11H2,1H3.
What are the key properties of 1-[2-(4-acetylphenoxy)ethyl]pyridin-2-one?
1-[2-(4-acetylphenoxy)ethyl]pyridin-2-one has a molecular weight of 257.29 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-acetylphenoxy)ethyl]pyridin-2-one is sourced from PubChem (CID 78986348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).