4-[(4-chlorophenoxy)methyl]-1-(3,4-dimethylphenyl)pyridin-2-one

C20H18ClNO2 — CID 91088883

IUPAC4-[(4-chlorophenoxy)methyl]-1-(3,4-dimethylphenyl)pyridin-2-one
SMILESCc1ccc(-n2ccc(COc3ccc(Cl)cc3)cc2=O)cc1C
InChIInChI=1S/C20H18ClNO2/c1-14-3-6-18(11-15(14)2)22-10-9-16(12-20(22)23)13-24-19-7-4-17(21)5-8-19/h3-12H,13H2,1-2H3
InChIKeyFVQOPMVSJQEIIP-UHFFFAOYSA-N
MW339.82 g/mol
LogP4.69
Rot. Bonds4

About 4-[(4-chlorophenoxy)methyl]-1-(3,4-dimethylphenyl)pyridin-2-one

4-[(4-chlorophenoxy)methyl]-1-(3,4-dimethylphenyl)pyridin-2-one (PubChem CID 91088883) has the molecular formula C20H18ClNO2 and a molecular weight of 339.82 g/mol. Its IUPAC name is 4-[(4-chlorophenoxy)methyl]-1-(3,4-dimethylphenyl)pyridin-2-one.

Molecular Properties

Compound Name4-[(4-chlorophenoxy)methyl]-1-(3,4-dimethylphenyl)pyridin-2-one
PubChem CID91088883
Molecular FormulaC20H18ClNO2
Molecular Weight339.82 g/mol
Exact Mass339.10
IUPAC Name4-[(4-chlorophenoxy)methyl]-1-(3,4-dimethylphenyl)pyridin-2-one
SMILESCc1ccc(-n2ccc(COc3ccc(Cl)cc3)cc2=O)cc1C
InChIInChI=1S/C20H18ClNO2/c1-14-3-6-18(11-15(14)2)22-10-9-16(12-20(22)23)13-24-19-7-4-17(21)5-8-19/h3-12H,13H2,1-2H3
InChIKeyFVQOPMVSJQEIIP-UHFFFAOYSA-N
XLogP4.69
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chlorophenoxy)methyl]-1-(4-hydroxy-3-methoxyphenyl)pyridin-2-one
CID 67135129
4-[(4-chlorophenoxy)methyl]-1-[4-[(Z)-2,3-dihydroxyprop-2-enoxy]-3-methylphenyl]pyridin-2-one
CID 70644356
4-[(4-chlorophenoxy)methyl]-1-[3-methoxy-4-(2-methylpropoxy)phenyl]pyridin-2-one
CID 123451290
4-[(3,4-dimethylphenoxy)methyl]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one
CID 58964911
1-(4-iodo-3-methylphenyl)-4-phenylmethoxypyridin-2-one
CID 143591111
2-bromo-4-[(4-chlorophenoxy)methyl]-1-methylbenzene
CID 117221919
4-[(4-chlorophenyl)methoxy]-1-[4-[2-(1-oxidopyrrolidin-1-ium-1-yl)ethoxy]phenyl]pyridin-2-one
CID 87451926
1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-[[4-(trifluoromethyl)phenoxy]methyl]pyridin-2-one
CID 58964977
4-[(3-chlorophenoxy)methyl]-1,2-dimethylbenzene
CID 64764553
1-[4-amino-3-(N-cyclopropyl-C-methylcarbonimidoyl)phenyl]-4-[(4-chlorophenyl)methoxy]pyridin-2-one
CID 123490591
methyl 1-(3,4-dimethylphenyl)-2-oxopyridine-4-carboxylate
CID 91406390
4-[(4-fluorophenoxy)methyl]-1-[3-(1-methylazetidin-3-yl)-1H-indol-6-yl]pyridin-2-one
CID 70961193

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenoxy)methyl]-1-(3,4-dimethylphenyl)pyridin-2-one?
The IUPAC name of 4-[(4-chlorophenoxy)methyl]-1-(3,4-dimethylphenyl)pyridin-2-one (CID 91088883) is 4-[(4-chlorophenoxy)methyl]-1-(3,4-dimethylphenyl)pyridin-2-one.
What is the SMILES notation for 4-[(4-chlorophenoxy)methyl]-1-(3,4-dimethylphenyl)pyridin-2-one?
The canonical SMILES for 4-[(4-chlorophenoxy)methyl]-1-(3,4-dimethylphenyl)pyridin-2-one is Cc1ccc(-n2ccc(COc3ccc(Cl)cc3)cc2=O)cc1C.
What is the InChIKey of 4-[(4-chlorophenoxy)methyl]-1-(3,4-dimethylphenyl)pyridin-2-one?
The InChIKey is FVQOPMVSJQEIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO2/c1-14-3-6-18(11-15(14)2)22-10-9-16(12-20(22)23)13-24-19-7-4-17(21)5-8-19/h3-12H,13H2,1-2H3.
What are the key properties of 4-[(4-chlorophenoxy)methyl]-1-(3,4-dimethylphenyl)pyridin-2-one?
4-[(4-chlorophenoxy)methyl]-1-(3,4-dimethylphenyl)pyridin-2-one has a molecular weight of 339.82 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenoxy)methyl]-1-(3,4-dimethylphenyl)pyridin-2-one is sourced from PubChem (CID 91088883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).