1-[(4-chlorophenyl)methyl]-2-methyl-3-phenylmethoxypyridin-4-one

C20H18ClNO2 — CID 3723411

IUPAC1-[(4-chlorophenyl)methyl]-2-methyl-3-phenylmethoxypyridin-4-one
SMILESCc1c(OCc2ccccc2)c(=O)ccn1Cc1ccc(Cl)cc1
InChIInChI=1S/C20H18ClNO2/c1-15-20(24-14-17-5-3-2-4-6-17)19(23)11-12-22(15)13-16-7-9-18(21)10-8-16/h2-12H,13-14H2,1H3
InChIKeyXVKKUQDLTQXTDH-UHFFFAOYSA-N
MW339.82 g/mol
LogP4.44
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-2-methyl-3-phenylmethoxypyridin-4-one

1-[(4-chlorophenyl)methyl]-2-methyl-3-phenylmethoxypyridin-4-one (PubChem CID 3723411) has the molecular formula C20H18ClNO2 and a molecular weight of 339.82 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-2-methyl-3-phenylmethoxypyridin-4-one.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-2-methyl-3-phenylmethoxypyridin-4-one
PubChem CID3723411
Molecular FormulaC20H18ClNO2
Molecular Weight339.82 g/mol
Exact Mass339.10
IUPAC Name1-[(4-chlorophenyl)methyl]-2-methyl-3-phenylmethoxypyridin-4-one
SMILESCc1c(OCc2ccccc2)c(=O)ccn1Cc1ccc(Cl)cc1
InChIInChI=1S/C20H18ClNO2/c1-15-20(24-14-17-5-3-2-4-6-17)19(23)11-12-22(15)13-16-7-9-18(21)10-8-16/h2-12H,13-14H2,1H3
InChIKeyXVKKUQDLTQXTDH-UHFFFAOYSA-N
XLogP4.44
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-(benzyloxy)-2-methyl-4(1H)-pyridinone
CID 660782
1-[4-(Benzylamino)butyl]-2-methyl-3-phenylmethoxypyridin-4-one
CID 162666832
AChE/BChE-IN-8
CID 162671445
4-Benzyloxy-1-(2-chlorobenzyl)-2-pyridinone
CID 16046253
3-((2,6-Dichlorobenzyl)oxy)-2-methyl-1-(4-methylbenzyl)-4(1H)-pyridinone
CID 1479279
3-(benzyloxy)-1-(4-fluorobenzyl)-2-methyl-4(1H)-pyridinone
CID 3623031
3-(benzyloxy)-2-methyl-1-(4-methylbenzyl)-4(1H)-pyridinone
CID 3818708
1-[(4-Chlorophenyl)methyl]-4-[(3-fluorophenyl)methoxy]-6-methylpyridin-2-one
CID 122178644
2-Methyl-1-(4-phenylbutyl)-3-phenylmethoxypyridin-4-one
CID 164615660
1-[5-(Benzylamino)pentyl]-2-methyl-3-phenylmethoxypyridin-4-one
CID 162669599
2-Methyl-3-phenylmethoxy-1-(3-phenylpropyl)pyridin-4-one
CID 164627921
1-Benzyl-5-(benzyloxy)-4-oxo-1,4-dihydropyridine-2-carbaldehyde
CID 4607667

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-2-methyl-3-phenylmethoxypyridin-4-one?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-2-methyl-3-phenylmethoxypyridin-4-one (CID 3723411) is 1-[(4-chlorophenyl)methyl]-2-methyl-3-phenylmethoxypyridin-4-one.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-2-methyl-3-phenylmethoxypyridin-4-one?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-2-methyl-3-phenylmethoxypyridin-4-one is Cc1c(OCc2ccccc2)c(=O)ccn1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-2-methyl-3-phenylmethoxypyridin-4-one?
The InChIKey is XVKKUQDLTQXTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO2/c1-15-20(24-14-17-5-3-2-4-6-17)19(23)11-12-22(15)13-16-7-9-18(21)10-8-16/h2-12H,13-14H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-2-methyl-3-phenylmethoxypyridin-4-one?
1-[(4-chlorophenyl)methyl]-2-methyl-3-phenylmethoxypyridin-4-one has a molecular weight of 339.82 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-2-methyl-3-phenylmethoxypyridin-4-one is sourced from PubChem (CID 3723411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).