3-(4-phenoxybutoxy)-1H-pyridin-2-one

C15H17NO3 — CID 82056040

IUPAC3-(4-phenoxybutoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cccc1OCCCCOc1ccccc1
InChIInChI=1S/C15H17NO3/c17-15-14(9-6-10-16-15)19-12-5-4-11-18-13-7-2-1-3-8-13/h1-3,6-10H,4-5,11-12H2,(H,16,17)
InChIKeyLRGRYOSFHKIFNA-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.61
Rot. Bonds7

About 3-(4-phenoxybutoxy)-1H-pyridin-2-one

3-(4-phenoxybutoxy)-1H-pyridin-2-one (PubChem CID 82056040) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-(4-phenoxybutoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(4-phenoxybutoxy)-1H-pyridin-2-one
PubChem CID82056040
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name3-(4-phenoxybutoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cccc1OCCCCOc1ccccc1
InChIInChI=1S/C15H17NO3/c17-15-14(9-6-10-16-15)19-12-5-4-11-18-13-7-2-1-3-8-13/h1-3,6-10H,4-5,11-12H2,(H,16,17)
InChIKeyLRGRYOSFHKIFNA-UHFFFAOYSA-N
XLogP2.61
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-(4-methoxyphenoxy)propoxy]-1H-pyridin-2-one
CID 82056039
3-pentoxy-1H-pyridin-2-one
CID 67377382
3-dodecoxy-1H-pyridin-2-one
CID 123606468
3-[(2-oxo-1H-pyridin-3-yl)oxy]propanoic acid
CID 82056005
3-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-2-one
CID 82056047
1-methoxy-2-(4-phenoxybutoxy)benzene
CID 2252132
1-bromo-2-(4-phenoxybutoxy)benzene
CID 54285155
2-[2-(4-phenoxybutoxy)phenyl]acetic acid
CID 154276164
2-(4-phenoxybutoxy)benzoic acid
CID 67413317
2-[(2-oxo-1H-pyridin-3-yl)oxy]acetamide
CID 82055987
4-(4-phenoxybutoxy)butoxybenzene
CID 22399981
2-(3-phenoxypropoxy)benzaldehyde
CID 60665355

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenoxybutoxy)-1H-pyridin-2-one?
The IUPAC name of 3-(4-phenoxybutoxy)-1H-pyridin-2-one (CID 82056040) is 3-(4-phenoxybutoxy)-1H-pyridin-2-one.
What is the SMILES notation for 3-(4-phenoxybutoxy)-1H-pyridin-2-one?
The canonical SMILES for 3-(4-phenoxybutoxy)-1H-pyridin-2-one is O=c1[nH]cccc1OCCCCOc1ccccc1.
What is the InChIKey of 3-(4-phenoxybutoxy)-1H-pyridin-2-one?
The InChIKey is LRGRYOSFHKIFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c17-15-14(9-6-10-16-15)19-12-5-4-11-18-13-7-2-1-3-8-13/h1-3,6-10H,4-5,11-12H2,(H,16,17).
What are the key properties of 3-(4-phenoxybutoxy)-1H-pyridin-2-one?
3-(4-phenoxybutoxy)-1H-pyridin-2-one has a molecular weight of 259.31 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenoxybutoxy)-1H-pyridin-2-one is sourced from PubChem (CID 82056040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).