1-[(3-chlorophenyl)methyl]-4-hydroxy-3-[(E)-3-phenylprop-2-enyl]pyridin-2-one

C21H18ClNO2 — CID 54693110

IUPAC1-[(3-chlorophenyl)methyl]-4-hydroxy-3-[(E)-3-phenylprop-2-enyl]pyridin-2-one
SMILESO=c1c(C/C=C/c2ccccc2)c(O)ccn1Cc1cccc(Cl)c1
InChIInChI=1S/C21H18ClNO2/c22-18-10-4-9-17(14-18)15-23-13-12-20(24)19(21(23)25)11-5-8-16-6-2-1-3-7-16/h1-10,12-14,24H,11,15H2/b8-5+
InChIKeyGKJCLMZSRUKVRR-VMPITWQZSA-N
MW351.83 g/mol
LogP4.51
Rot. Bonds5

About 1-[(3-chlorophenyl)methyl]-4-hydroxy-3-[(E)-3-phenylprop-2-enyl]pyridin-2-one

1-[(3-chlorophenyl)methyl]-4-hydroxy-3-[(E)-3-phenylprop-2-enyl]pyridin-2-one (PubChem CID 54693110) has the molecular formula C21H18ClNO2 and a molecular weight of 351.83 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-4-hydroxy-3-[(E)-3-phenylprop-2-enyl]pyridin-2-one.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-4-hydroxy-3-[(E)-3-phenylprop-2-enyl]pyridin-2-one
PubChem CID54693110
Molecular FormulaC21H18ClNO2
Molecular Weight351.83 g/mol
Exact Mass351.10
IUPAC Name1-[(3-chlorophenyl)methyl]-4-hydroxy-3-[(E)-3-phenylprop-2-enyl]pyridin-2-one
SMILESO=c1c(C/C=C/c2ccccc2)c(O)ccn1Cc1cccc(Cl)c1
InChIInChI=1S/C21H18ClNO2/c22-18-10-4-9-17(14-18)15-23-13-12-20(24)19(21(23)25)11-5-8-16-6-2-1-3-7-16/h1-10,12-14,24H,11,15H2/b8-5+
InChIKeyGKJCLMZSRUKVRR-VMPITWQZSA-N
XLogP4.51
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dichlorobenzyl)-4-hydroxy-3-[(E)-3-phenyl-2-propenyl]-2(1H)-pyridinone
CID 54693109
N-benzyl-1-(3-chlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 1482967
1-(3-chlorobenzyl)-3-(4-fluorobenzyl)-4-hydroxy-2(1H)-pyridinone
CID 54677652
1-(4-chlorobenzyl)-3-(2,4-dichlorobenzyl)-4-hydroxy-2(1H)-pyridinone
CID 54686149
1-allyl-3-(4-chlorobenzyl)-4-hydroxy-2(1H)-pyridinone
CID 54686742
1-[(3-Chlorophenyl)methyl]pyridin-2-one
CID 39967032
1-(3-Chlorobenzyl)-2-oxo-4-phenyl-1,2-dihydro-3-pyridinecarbonitrile
CID 1487451
1-(2,4-dichlorobenzyl)-3-(4-fluorobenzyl)-4-hydroxy-2(1H)-pyridinone
CID 54687591
3-(4-chlorobenzyl)-4-hydroxy-1-propyl-2(1H)-pyridinone
CID 54710104
1-[(3-Chlorophenyl)methyl]-3-hydroxypyridin-2-one
CID 53235307
1-(3-chlorobenzyl)-3-(4-chlorobenzyl)-4-hydroxy-2(1H)-pyridinone
CID 54679272
3-(2-chloro-6-fluorobenzyl)-1-(4-fluorobenzyl)-4-hydroxy-2(1H)-pyridinone
CID 54696634

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-4-hydroxy-3-[(E)-3-phenylprop-2-enyl]pyridin-2-one?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-4-hydroxy-3-[(E)-3-phenylprop-2-enyl]pyridin-2-one (CID 54693110) is 1-[(3-chlorophenyl)methyl]-4-hydroxy-3-[(E)-3-phenylprop-2-enyl]pyridin-2-one.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-4-hydroxy-3-[(E)-3-phenylprop-2-enyl]pyridin-2-one?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-4-hydroxy-3-[(E)-3-phenylprop-2-enyl]pyridin-2-one is O=c1c(C/C=C/c2ccccc2)c(O)ccn1Cc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-4-hydroxy-3-[(E)-3-phenylprop-2-enyl]pyridin-2-one?
The InChIKey is GKJCLMZSRUKVRR-VMPITWQZSA-N. The full InChI is InChI=1S/C21H18ClNO2/c22-18-10-4-9-17(14-18)15-23-13-12-20(24)19(21(23)25)11-5-8-16-6-2-1-3-7-16/h1-10,12-14,24H,11,15H2/b8-5+.
What are the key properties of 1-[(3-chlorophenyl)methyl]-4-hydroxy-3-[(E)-3-phenylprop-2-enyl]pyridin-2-one?
1-[(3-chlorophenyl)methyl]-4-hydroxy-3-[(E)-3-phenylprop-2-enyl]pyridin-2-one has a molecular weight of 351.83 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-4-hydroxy-3-[(E)-3-phenylprop-2-enyl]pyridin-2-one is sourced from PubChem (CID 54693110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).