4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-enylpyridin-2-one

C16H15F2NO2 — CID 22051008

IUPAC4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-enylpyridin-2-one
SMILESC=CCn1c(C)cc(OCc2ccc(F)cc2F)cc1=O
InChIInChI=1S/C16H15F2NO2/c1-3-6-19-11(2)7-14(9-16(19)20)21-10-12-4-5-13(17)8-15(12)18/h3-5,7-9H,1,6,10H2,2H3
InChIKeyLEGIYYQDIAVNKR-UHFFFAOYSA-N
MW291.30 g/mol
LogP3.20
Rot. Bonds5

About 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-enylpyridin-2-one

4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-enylpyridin-2-one (PubChem CID 22051008) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-enylpyridin-2-one.

Molecular Properties

Compound Name4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-enylpyridin-2-one
PubChem CID22051008
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-enylpyridin-2-one
SMILESC=CCn1c(C)cc(OCc2ccc(F)cc2F)cc1=O
InChIInChI=1S/C16H15F2NO2/c1-3-6-19-11(2)7-14(9-16(19)20)21-10-12-4-5-13(17)8-15(12)18/h3-5,7-9H,1,6,10H2,2H3
InChIKeyLEGIYYQDIAVNKR-UHFFFAOYSA-N
XLogP3.20
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-Fluorobenzyloxy)-1h-pyridin-2-one
CID 22049900
1-(3-Methylbutyl)-2-oxo-4-phenylmethoxypyridine-3-carbonitrile
CID 118714734
4-[(2,4-Difluorophenyl)methoxy]-6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one
CID 122178642
4-(benzyloxy)-1-(3-fluorobenzyl)-3-(trifluoromethyl)pyridin-2(1H)-one
CID 22050442
4-Phenylmethoxy-1-prop-2-ynylpyridin-2-one
CID 44449560
3-Fluoro-1,6-dimethyl-4-(2-phenylpropoxy)pyridin-2-one
CID 178296746
4-[2-(3-Fluorophenyl)propoxy]-1,6-dimethylpyridin-2-one
CID 178300723
1-(Difluoromethyl)-4-phenylmethoxypyridin-2-one
CID 22050879
3-benzyl-2-(4-fluorophenyl)-6-methyl-2H-1,3-oxazin-4-one
CID 132969069
2H-Pyrrol-2-one, 1,5-dihydro-1-methyl-4-(phenylmethoxy)-
CID 11344716
3-Cyanomethyl-6-phenyl-3,4-dihydro-2h-1,3-oxazin-4-one
CID 13793797
4-[(4-Fluorophenyl)methoxy]-1-methylpyridin-2-one
CID 70697683

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-enylpyridin-2-one?
The IUPAC name of 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-enylpyridin-2-one (CID 22051008) is 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-enylpyridin-2-one.
What is the SMILES notation for 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-enylpyridin-2-one?
The canonical SMILES for 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-enylpyridin-2-one is C=CCn1c(C)cc(OCc2ccc(F)cc2F)cc1=O.
What is the InChIKey of 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-enylpyridin-2-one?
The InChIKey is LEGIYYQDIAVNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c1-3-6-19-11(2)7-14(9-16(19)20)21-10-12-4-5-13(17)8-15(12)18/h3-5,7-9H,1,6,10H2,2H3.
What are the key properties of 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-enylpyridin-2-one?
4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-enylpyridin-2-one has a molecular weight of 291.30 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-enylpyridin-2-one is sourced from PubChem (CID 22051008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).