1-(3-chloropropyl)-3-phenylmethoxypyridin-2-one

C15H16ClNO2 — CID 59537177

IUPAC1-(3-chloropropyl)-3-phenylmethoxypyridin-2-one
SMILESO=c1c(OCc2ccccc2)cccn1CCCCl
InChIInChI=1S/C15H16ClNO2/c16-9-5-11-17-10-4-8-14(15(17)18)19-12-13-6-2-1-3-7-13/h1-4,6-8,10H,5,9,11-12H2
InChIKeyOUXNACRFFDCFTB-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.06
Rot. Bonds6

About 1-(3-chloropropyl)-3-phenylmethoxypyridin-2-one

1-(3-chloropropyl)-3-phenylmethoxypyridin-2-one (PubChem CID 59537177) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 1-(3-chloropropyl)-3-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-(3-chloropropyl)-3-phenylmethoxypyridin-2-one
PubChem CID59537177
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name1-(3-chloropropyl)-3-phenylmethoxypyridin-2-one
SMILESO=c1c(OCc2ccccc2)cccn1CCCCl
InChIInChI=1S/C15H16ClNO2/c16-9-5-11-17-10-4-8-14(15(17)18)19-12-13-6-2-1-3-7-13/h1-4,6-8,10H,5,9,11-12H2
InChIKeyOUXNACRFFDCFTB-UHFFFAOYSA-N
XLogP3.06
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminopropyl)-3-phenylmethoxypyridin-2-one
CID 52921436
2-(2-oxo-3-phenylmethoxy-1-pyridinyl)acetaldehyde
CID 135229192
1-(2-oxopropyl)-3-phenylmethoxypyridin-2-one
CID 135225818
4-[3-[(4-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]butanenitrile
CID 82151941
4-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]butanoic acid
CID 94758137
1-(3-aminopropyl)-3-(3-phenylpropoxy)pyridin-2-one
CID 82056281
5-[2-oxo-3-(2-phenylethoxy)-1-pyridinyl]pentanoic acid
CID 94758205
5-[2-oxo-3-(3-phenylpropoxy)-1-pyridinyl]pentanoic acid
CID 82151546
3-phenylmethoxy-1-[3-phenyl-3-(2H-triazol-4-yl)propyl]pyridin-2-one
CID 71140131
N-butyl-2-(2-oxo-3-phenylmethoxy-1-pyridinyl)acetamide
CID 18941618
1-[(4-methylphenyl)sulfonylmethyl]-3-phenylmethoxypyridin-2-one
CID 68510398
N-[3-[bis[3-(2-oxo-3-phenylmethoxy-1-pyridinyl)propyl]amino]propyl]-4-nitro-N-[3-(2-oxo-3-phenylmethoxy-1-pyridinyl)propyl]benzenesulfonamide
CID 52921506

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropropyl)-3-phenylmethoxypyridin-2-one?
The IUPAC name of 1-(3-chloropropyl)-3-phenylmethoxypyridin-2-one (CID 59537177) is 1-(3-chloropropyl)-3-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-(3-chloropropyl)-3-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-(3-chloropropyl)-3-phenylmethoxypyridin-2-one is O=c1c(OCc2ccccc2)cccn1CCCCl.
What is the InChIKey of 1-(3-chloropropyl)-3-phenylmethoxypyridin-2-one?
The InChIKey is OUXNACRFFDCFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c16-9-5-11-17-10-4-8-14(15(17)18)19-12-13-6-2-1-3-7-13/h1-4,6-8,10H,5,9,11-12H2.
What are the key properties of 1-(3-chloropropyl)-3-phenylmethoxypyridin-2-one?
1-(3-chloropropyl)-3-phenylmethoxypyridin-2-one has a molecular weight of 277.75 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropropyl)-3-phenylmethoxypyridin-2-one is sourced from PubChem (CID 59537177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).