1-[2-[4-(3-oxobutyl)phenoxy]ethyl]pyridin-2-one

C17H19NO3 — CID 82898830

IUPAC1-[2-[4-(3-oxobutyl)phenoxy]ethyl]pyridin-2-one
SMILESCC(=O)CCc1ccc(OCCn2ccccc2=O)cc1
InChIInChI=1S/C17H19NO3/c1-14(19)5-6-15-7-9-16(10-8-15)21-13-12-18-11-3-2-4-17(18)20/h2-4,7-11H,5-6,12-13H2,1H3
InChIKeyJMGVBFNGDYZCRD-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.45
Rot. Bonds7

About 1-[2-[4-(3-oxobutyl)phenoxy]ethyl]pyridin-2-one

1-[2-[4-(3-oxobutyl)phenoxy]ethyl]pyridin-2-one (PubChem CID 82898830) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-[2-[4-(3-oxobutyl)phenoxy]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-(3-oxobutyl)phenoxy]ethyl]pyridin-2-one
PubChem CID82898830
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name1-[2-[4-(3-oxobutyl)phenoxy]ethyl]pyridin-2-one
SMILESCC(=O)CCc1ccc(OCCn2ccccc2=O)cc1
InChIInChI=1S/C17H19NO3/c1-14(19)5-6-15-7-9-16(10-8-15)21-13-12-18-11-3-2-4-17(18)20/h2-4,7-11H,5-6,12-13H2,1H3
InChIKeyJMGVBFNGDYZCRD-UHFFFAOYSA-N
XLogP2.45
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-acetylphenoxy)ethyl]pyridin-2-one
CID 78986348
2-[4-[2-(2-oxo-1-pyridinyl)ethoxy]phenyl]acetonitrile
CID 43289160
2-methyl-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzoic acid
CID 107671050
4-(4-pentoxyphenyl)butan-2-one
CID 19885189
4-[4-[4-(4-methylpiperazin-1-yl)butoxy]phenyl]butan-2-one;hydrochloride
CID 2993897
4-[4-(5-chloropentoxy)phenyl]butan-2-one
CID 43168524
4-[4-[(7E)-7-hydroxyiminoheptoxy]phenyl]butan-2-one
CID 24899892
methyl 4-[4-(3-oxobutyl)phenoxy]butanoate
CID 43378030
4-[4-(3-methylsulfanylpropoxy)phenyl]butan-2-one
CID 115650921
4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethoxy]phenyl]butan-2-one
CID 60623475
1-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]pyridin-2-one
CID 78863276
4-(4-pent-3-ynoxyphenyl)butan-2-one
CID 104743737

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3-oxobutyl)phenoxy]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[4-(3-oxobutyl)phenoxy]ethyl]pyridin-2-one (CID 82898830) is 1-[2-[4-(3-oxobutyl)phenoxy]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[4-(3-oxobutyl)phenoxy]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[4-(3-oxobutyl)phenoxy]ethyl]pyridin-2-one is CC(=O)CCc1ccc(OCCn2ccccc2=O)cc1.
What is the InChIKey of 1-[2-[4-(3-oxobutyl)phenoxy]ethyl]pyridin-2-one?
The InChIKey is JMGVBFNGDYZCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-14(19)5-6-15-7-9-16(10-8-15)21-13-12-18-11-3-2-4-17(18)20/h2-4,7-11H,5-6,12-13H2,1H3.
What are the key properties of 1-[2-[4-(3-oxobutyl)phenoxy]ethyl]pyridin-2-one?
1-[2-[4-(3-oxobutyl)phenoxy]ethyl]pyridin-2-one has a molecular weight of 285.34 g/mol, XLogP of 2.45, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3-oxobutyl)phenoxy]ethyl]pyridin-2-one is sourced from PubChem (CID 82898830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).