3-benzyl-4-hydroxy-1-[(4-methylphenyl)methyl]pyridin-2-one

C20H19NO2 — CID 54687404

IUPAC3-benzyl-4-hydroxy-1-[(4-methylphenyl)methyl]pyridin-2-one
SMILESCc1ccc(Cn2ccc(O)c(Cc3ccccc3)c2=O)cc1
InChIInChI=1S/C20H19NO2/c1-15-7-9-17(10-8-15)14-21-12-11-19(22)18(20(21)23)13-16-5-3-2-4-6-16/h2-12,22H,13-14H2,1H3
InChIKeyVIKDFSQMMLHWEP-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.50
Rot. Bonds4

About 3-benzyl-4-hydroxy-1-[(4-methylphenyl)methyl]pyridin-2-one

3-benzyl-4-hydroxy-1-[(4-methylphenyl)methyl]pyridin-2-one (PubChem CID 54687404) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-benzyl-4-hydroxy-1-[(4-methylphenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name3-benzyl-4-hydroxy-1-[(4-methylphenyl)methyl]pyridin-2-one
PubChem CID54687404
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name3-benzyl-4-hydroxy-1-[(4-methylphenyl)methyl]pyridin-2-one
SMILESCc1ccc(Cn2ccc(O)c(Cc3ccccc3)c2=O)cc1
InChIInChI=1S/C20H19NO2/c1-15-7-9-17(10-8-15)14-21-12-11-19(22)18(20(21)23)13-16-5-3-2-4-6-16/h2-12,22H,13-14H2,1H3
InChIKeyVIKDFSQMMLHWEP-UHFFFAOYSA-N
XLogP3.50
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-hydroxy-1-[(4-methylphenyl)methyl]pyridin-2-one?
The IUPAC name of 3-benzyl-4-hydroxy-1-[(4-methylphenyl)methyl]pyridin-2-one (CID 54687404) is 3-benzyl-4-hydroxy-1-[(4-methylphenyl)methyl]pyridin-2-one.
What is the SMILES notation for 3-benzyl-4-hydroxy-1-[(4-methylphenyl)methyl]pyridin-2-one?
The canonical SMILES for 3-benzyl-4-hydroxy-1-[(4-methylphenyl)methyl]pyridin-2-one is Cc1ccc(Cn2ccc(O)c(Cc3ccccc3)c2=O)cc1.
What is the InChIKey of 3-benzyl-4-hydroxy-1-[(4-methylphenyl)methyl]pyridin-2-one?
The InChIKey is VIKDFSQMMLHWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-15-7-9-17(10-8-15)14-21-12-11-19(22)18(20(21)23)13-16-5-3-2-4-6-16/h2-12,22H,13-14H2,1H3.
What are the key properties of 3-benzyl-4-hydroxy-1-[(4-methylphenyl)methyl]pyridin-2-one?
3-benzyl-4-hydroxy-1-[(4-methylphenyl)methyl]pyridin-2-one has a molecular weight of 305.38 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-hydroxy-1-[(4-methylphenyl)methyl]pyridin-2-one is sourced from PubChem (CID 54687404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).