3-[3-(4-methoxyphenoxy)propoxy]-1H-pyridin-2-one

C15H17NO4 — CID 82056039

IUPAC3-[3-(4-methoxyphenoxy)propoxy]-1H-pyridin-2-one
SMILESCOc1ccc(OCCCOc2ccc[nH]c2=O)cc1
InChIInChI=1S/C15H17NO4/c1-18-12-5-7-13(8-6-12)19-10-3-11-20-14-4-2-9-16-15(14)17/h2,4-9H,3,10-11H2,1H3,(H,16,17)
InChIKeyZRLOCFVXBGUDEX-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.23
Rot. Bonds7

About 3-[3-(4-methoxyphenoxy)propoxy]-1H-pyridin-2-one

3-[3-(4-methoxyphenoxy)propoxy]-1H-pyridin-2-one (PubChem CID 82056039) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 3-[3-(4-methoxyphenoxy)propoxy]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[3-(4-methoxyphenoxy)propoxy]-1H-pyridin-2-one
PubChem CID82056039
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name3-[3-(4-methoxyphenoxy)propoxy]-1H-pyridin-2-one
SMILESCOc1ccc(OCCCOc2ccc[nH]c2=O)cc1
InChIInChI=1S/C15H17NO4/c1-18-12-5-7-13(8-6-12)19-10-3-11-20-14-4-2-9-16-15(14)17/h2,4-9H,3,10-11H2,1H3,(H,16,17)
InChIKeyZRLOCFVXBGUDEX-UHFFFAOYSA-N
XLogP2.23
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-phenoxybutoxy)-1H-pyridin-2-one
CID 82056040
3-pentoxy-1H-pyridin-2-one
CID 67377382
3-dodecoxy-1H-pyridin-2-one
CID 123606468
2-(4-methoxyphenoxy)ethyl 2-oxo-1H-pyridine-3-carboxylate
CID 3658733
3-methoxy-1H-pyridin-2-one;hydrate
CID 90189833
5-[2-(4-methoxyphenyl)ethoxy]-2H-isoquinolin-1-one
CID 69345133
3-[(2-oxo-1H-pyridin-3-yl)oxy]propanoic acid
CID 82056005
1-methoxy-2-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 78767785
ethane;1-methoxy-4-(3-methoxypropoxy)benzene
CID 143283206
3-(2-methylprop-2-enoxy)-1H-pyridin-2-one
CID 82056046
N-[2-(4-methoxyphenoxy)ethyl]-1H-pyrrole-2-carboxamide
CID 110691003
N-(4-ethoxyphenyl)-2-[(2-oxo-1H-pyridin-3-yl)oxy]acetamide
CID 82055983

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methoxyphenoxy)propoxy]-1H-pyridin-2-one?
The IUPAC name of 3-[3-(4-methoxyphenoxy)propoxy]-1H-pyridin-2-one (CID 82056039) is 3-[3-(4-methoxyphenoxy)propoxy]-1H-pyridin-2-one.
What is the SMILES notation for 3-[3-(4-methoxyphenoxy)propoxy]-1H-pyridin-2-one?
The canonical SMILES for 3-[3-(4-methoxyphenoxy)propoxy]-1H-pyridin-2-one is COc1ccc(OCCCOc2ccc[nH]c2=O)cc1.
What is the InChIKey of 3-[3-(4-methoxyphenoxy)propoxy]-1H-pyridin-2-one?
The InChIKey is ZRLOCFVXBGUDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-18-12-5-7-13(8-6-12)19-10-3-11-20-14-4-2-9-16-15(14)17/h2,4-9H,3,10-11H2,1H3,(H,16,17).
What are the key properties of 3-[3-(4-methoxyphenoxy)propoxy]-1H-pyridin-2-one?
3-[3-(4-methoxyphenoxy)propoxy]-1H-pyridin-2-one has a molecular weight of 275.30 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methoxyphenoxy)propoxy]-1H-pyridin-2-one is sourced from PubChem (CID 82056039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).