1-[[4-(hydroxymethyl)phenyl]methyl]-5-(4-methoxyphenyl)pyridin-2-one

C20H19NO3 — CID 69349835

IUPAC1-[[4-(hydroxymethyl)phenyl]methyl]-5-(4-methoxyphenyl)pyridin-2-one
SMILESCOc1ccc(-c2ccc(=O)n(Cc3ccc(CO)cc3)c2)cc1
InChIInChI=1S/C20H19NO3/c1-24-19-9-6-17(7-10-19)18-8-11-20(23)21(13-18)12-15-2-4-16(14-22)5-3-15/h2-11,13,22H,12,14H2,1H3
InChIKeyHJJMLSVGGUNQGC-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.06
Rot. Bonds5

About 1-[[4-(hydroxymethyl)phenyl]methyl]-5-(4-methoxyphenyl)pyridin-2-one

1-[[4-(hydroxymethyl)phenyl]methyl]-5-(4-methoxyphenyl)pyridin-2-one (PubChem CID 69349835) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[[4-(hydroxymethyl)phenyl]methyl]-5-(4-methoxyphenyl)pyridin-2-one.

Molecular Properties

Compound Name1-[[4-(hydroxymethyl)phenyl]methyl]-5-(4-methoxyphenyl)pyridin-2-one
PubChem CID69349835
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name1-[[4-(hydroxymethyl)phenyl]methyl]-5-(4-methoxyphenyl)pyridin-2-one
SMILESCOc1ccc(-c2ccc(=O)n(Cc3ccc(CO)cc3)c2)cc1
InChIInChI=1S/C20H19NO3/c1-24-19-9-6-17(7-10-19)18-8-11-20(23)21(13-18)12-15-2-4-16(14-22)5-3-15/h2-11,13,22H,12,14H2,1H3
InChIKeyHJJMLSVGGUNQGC-UHFFFAOYSA-N
XLogP3.06
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyridin-2-one
CID 69444298
5-(4-methoxyphenyl)-1-(2-methylpropyl)pyridin-2-one
CID 69441985
(4-methoxyphenyl)methanol
CID 7738
methyl 2-[4-[1-[(4-chlorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]acetate
CID 69444093
1-benzyl-5-(hydroxymethyl)pyridin-2-one
CID 23240890
1-benzyl-5-[(5-methoxy-2-phenylphenyl)methyl]pyridin-2-one
CID 25156915
5-(4-methoxyphenyl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one
CID 69441988
1-benzyl-5-[(4-methoxy-2-phenylphenyl)methyl]pyridin-2-one
CID 25156635
cycloheptane;(4-methoxyphenyl)methanol
CID 142801335
4-hydroxy-1-[(4-methoxyphenyl)methyl]pyridin-2-one
CID 54736914
1-[(3,4-difluorophenyl)methyl]-5-[4-(methoxymethyl)phenyl]pyridin-2-one
CID 69443479
N-(2,4-dimethoxyphenyl)-1-[(4-methoxyphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 110382358

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(hydroxymethyl)phenyl]methyl]-5-(4-methoxyphenyl)pyridin-2-one?
The IUPAC name of 1-[[4-(hydroxymethyl)phenyl]methyl]-5-(4-methoxyphenyl)pyridin-2-one (CID 69349835) is 1-[[4-(hydroxymethyl)phenyl]methyl]-5-(4-methoxyphenyl)pyridin-2-one.
What is the SMILES notation for 1-[[4-(hydroxymethyl)phenyl]methyl]-5-(4-methoxyphenyl)pyridin-2-one?
The canonical SMILES for 1-[[4-(hydroxymethyl)phenyl]methyl]-5-(4-methoxyphenyl)pyridin-2-one is COc1ccc(-c2ccc(=O)n(Cc3ccc(CO)cc3)c2)cc1.
What is the InChIKey of 1-[[4-(hydroxymethyl)phenyl]methyl]-5-(4-methoxyphenyl)pyridin-2-one?
The InChIKey is HJJMLSVGGUNQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-24-19-9-6-17(7-10-19)18-8-11-20(23)21(13-18)12-15-2-4-16(14-22)5-3-15/h2-11,13,22H,12,14H2,1H3.
What are the key properties of 1-[[4-(hydroxymethyl)phenyl]methyl]-5-(4-methoxyphenyl)pyridin-2-one?
1-[[4-(hydroxymethyl)phenyl]methyl]-5-(4-methoxyphenyl)pyridin-2-one has a molecular weight of 321.38 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(hydroxymethyl)phenyl]methyl]-5-(4-methoxyphenyl)pyridin-2-one is sourced from PubChem (CID 69349835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).