3-benzyl-4-hydroxy-1-(2-phenylethyl)pyridin-2-one

C20H19NO2 — CID 54694043

IUPAC3-benzyl-4-hydroxy-1-(2-phenylethyl)pyridin-2-one
SMILESO=c1c(Cc2ccccc2)c(O)ccn1CCc1ccccc1
InChIInChI=1S/C20H19NO2/c22-19-12-14-21(13-11-16-7-3-1-4-8-16)20(23)18(19)15-17-9-5-2-6-10-17/h1-10,12,14,22H,11,13,15H2
InChIKeyLBAITLDRZBSNBM-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.39
Rot. Bonds5

About 3-benzyl-4-hydroxy-1-(2-phenylethyl)pyridin-2-one

3-benzyl-4-hydroxy-1-(2-phenylethyl)pyridin-2-one (PubChem CID 54694043) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-benzyl-4-hydroxy-1-(2-phenylethyl)pyridin-2-one.

Molecular Properties

Compound Name3-benzyl-4-hydroxy-1-(2-phenylethyl)pyridin-2-one
PubChem CID54694043
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name3-benzyl-4-hydroxy-1-(2-phenylethyl)pyridin-2-one
SMILESO=c1c(Cc2ccccc2)c(O)ccn1CCc1ccccc1
InChIInChI=1S/C20H19NO2/c22-19-12-14-21(13-11-16-7-3-1-4-8-16)20(23)18(19)15-17-9-5-2-6-10-17/h1-10,12,14,22H,11,13,15H2
InChIKeyLBAITLDRZBSNBM-UHFFFAOYSA-N
XLogP3.39
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.39
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-(2-phenylethyl)pyridin-2-one?
The IUPAC name of 3-benzyl-4-hydroxy-1-(2-phenylethyl)pyridin-2-one (CID 54694043) is 3-benzyl-4-hydroxy-1-(2-phenylethyl)pyridin-2-one.
What is the SMILES notation for 3-benzyl-4-hydroxy-1-(2-phenylethyl)pyridin-2-one?
The canonical SMILES for 3-benzyl-4-hydroxy-1-(2-phenylethyl)pyridin-2-one is O=c1c(Cc2ccccc2)c(O)ccn1CCc1ccccc1.
What is the InChIKey of 3-benzyl-4-hydroxy-1-(2-phenylethyl)pyridin-2-one?
The InChIKey is LBAITLDRZBSNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c22-19-12-14-21(13-11-16-7-3-1-4-8-16)20(23)18(19)15-17-9-5-2-6-10-17/h1-10,12,14,22H,11,13,15H2.
What are the key properties of 3-benzyl-4-hydroxy-1-(2-phenylethyl)pyridin-2-one?
3-benzyl-4-hydroxy-1-(2-phenylethyl)pyridin-2-one has a molecular weight of 305.38 g/mol, XLogP of 3.39, 5 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-(2-phenylethyl)pyridin-2-one is sourced from PubChem (CID 54694043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).