3-[(4-chlorophenyl)methyl]-4-hydroxy-1-(2-methoxyethyl)pyridin-2-one

C15H16ClNO3 — CID 54680136

IUPAC3-[(4-chlorophenyl)methyl]-4-hydroxy-1-(2-methoxyethyl)pyridin-2-one
SMILESCOCCn1ccc(O)c(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C15H16ClNO3/c1-20-9-8-17-7-6-14(18)13(15(17)19)10-11-2-4-12(16)5-3-11/h2-7,18H,8-10H2,1H3
InChIKeyHFIPZCKVZHJREE-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.44
Rot. Bonds5

About 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-(2-methoxyethyl)pyridin-2-one

3-[(4-chlorophenyl)methyl]-4-hydroxy-1-(2-methoxyethyl)pyridin-2-one (PubChem CID 54680136) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-(2-methoxyethyl)pyridin-2-one.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-4-hydroxy-1-(2-methoxyethyl)pyridin-2-one
PubChem CID54680136
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC Name3-[(4-chlorophenyl)methyl]-4-hydroxy-1-(2-methoxyethyl)pyridin-2-one
SMILESCOCCn1ccc(O)c(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C15H16ClNO3/c1-20-9-8-17-7-6-14(18)13(15(17)19)10-11-2-4-12(16)5-3-11/h2-7,18H,8-10H2,1H3
InChIKeyHFIPZCKVZHJREE-UHFFFAOYSA-N
XLogP2.44
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-(2-methoxyethyl)pyridin-2-one?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-(2-methoxyethyl)pyridin-2-one (CID 54680136) is 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-(2-methoxyethyl)pyridin-2-one.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-(2-methoxyethyl)pyridin-2-one?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-(2-methoxyethyl)pyridin-2-one is COCCn1ccc(O)c(Cc2ccc(Cl)cc2)c1=O.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-(2-methoxyethyl)pyridin-2-one?
The InChIKey is HFIPZCKVZHJREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3/c1-20-9-8-17-7-6-14(18)13(15(17)19)10-11-2-4-12(16)5-3-11/h2-7,18H,8-10H2,1H3.
What are the key properties of 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-(2-methoxyethyl)pyridin-2-one?
3-[(4-chlorophenyl)methyl]-4-hydroxy-1-(2-methoxyethyl)pyridin-2-one has a molecular weight of 293.75 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-(2-methoxyethyl)pyridin-2-one is sourced from PubChem (CID 54680136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).