4-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]butanoic acid

C16H16ClNO4 — CID 94758137

IUPAC4-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]butanoic acid
SMILESO=C(O)CCCn1cccc(OCc2cccc(Cl)c2)c1=O
InChIInChI=1S/C16H16ClNO4/c17-13-5-1-4-12(10-13)11-22-14-6-2-8-18(16(14)21)9-3-7-15(19)20/h1-2,4-6,8,10H,3,7,9,11H2,(H,19,20)
InChIKeyVNECMRCTTOKAQZ-UHFFFAOYSA-N
MW321.76 g/mol
LogP2.95
Rot. Bonds7

About 4-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]butanoic acid

4-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]butanoic acid (PubChem CID 94758137) has the molecular formula C16H16ClNO4 and a molecular weight of 321.76 g/mol. Its IUPAC name is 4-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]butanoic acid.

Molecular Properties

Compound Name4-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]butanoic acid
PubChem CID94758137
Molecular FormulaC16H16ClNO4
Molecular Weight321.76 g/mol
Exact Mass321.08
IUPAC Name4-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]butanoic acid
SMILESO=C(O)CCCn1cccc(OCc2cccc(Cl)c2)c1=O
InChIInChI=1S/C16H16ClNO4/c17-13-5-1-4-12(10-13)11-22-14-6-2-8-18(16(14)21)9-3-7-15(19)20/h1-2,4-6,8,10H,3,7,9,11H2,(H,19,20)
InChIKeyVNECMRCTTOKAQZ-UHFFFAOYSA-N
XLogP2.95
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]propanenitrile
CID 82143480
5-[2-oxo-3-(2-phenylethoxy)-1-pyridinyl]pentanoic acid
CID 94758205
5-[2-oxo-3-(3-phenylpropoxy)-1-pyridinyl]pentanoic acid
CID 82151546
1-(3-chloropropyl)-3-phenylmethoxypyridin-2-one
CID 59537177
3-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]-2-methylpropanenitrile
CID 82146371
1-(3-aminopropyl)-3-phenylmethoxypyridin-2-one
CID 52921436
5-[3-(2-methylprop-2-enoxy)-2-oxo-1-pyridinyl]pentanoic acid
CID 82151547
2-[[2-[(3-chlorophenyl)methoxy]phenyl]methylamino]acetic acid
CID 66528475
4-[3-[2-[butyl(methyl)amino]-2-oxoethoxy]-2-oxo-1-pyridinyl]butanoic acid
CID 82151424
1-(2-oxopropyl)-3-phenylmethoxypyridin-2-one
CID 135225818
5-[3-(2-morpholin-4-ylethoxy)-2-oxo-1-pyridinyl]pentanoic acid
CID 82151552
2-[(3-chlorophenyl)methoxy]phenol
CID 18947333

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]butanoic acid?
The IUPAC name of 4-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]butanoic acid (CID 94758137) is 4-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]butanoic acid.
What is the SMILES notation for 4-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]butanoic acid?
The canonical SMILES for 4-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]butanoic acid is O=C(O)CCCn1cccc(OCc2cccc(Cl)c2)c1=O.
What is the InChIKey of 4-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]butanoic acid?
The InChIKey is VNECMRCTTOKAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO4/c17-13-5-1-4-12(10-13)11-22-14-6-2-8-18(16(14)21)9-3-7-15(19)20/h1-2,4-6,8,10H,3,7,9,11H2,(H,19,20).
What are the key properties of 4-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]butanoic acid?
4-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]butanoic acid has a molecular weight of 321.76 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]butanoic acid is sourced from PubChem (CID 94758137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).