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

C19H17NO2 — CID 71142099

IUPAC3-hydroxy-1-[[4-(4-methylphenyl)phenyl]methyl]pyridin-2-one
SMILESCc1ccc(-c2ccc(Cn3cccc(O)c3=O)cc2)cc1
InChIInChI=1S/C19H17NO2/c1-14-4-8-16(9-5-14)17-10-6-15(7-11-17)13-20-12-2-3-18(21)19(20)22/h2-12,21H,13H2,1H3
InChIKeySNOUMXCQTKHFRD-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.58
Rot. Bonds3

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

3-hydroxy-1-[[4-(4-methylphenyl)phenyl]methyl]pyridin-2-one (PubChem CID 71142099) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-hydroxy-1-[[4-(4-methylphenyl)phenyl]methyl]pyridin-2-one.

Molecular Properties

Compound Name3-hydroxy-1-[[4-(4-methylphenyl)phenyl]methyl]pyridin-2-one
PubChem CID71142099
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name3-hydroxy-1-[[4-(4-methylphenyl)phenyl]methyl]pyridin-2-one
SMILESCc1ccc(-c2ccc(Cn3cccc(O)c3=O)cc2)cc1
InChIInChI=1S/C19H17NO2/c1-14-4-8-16(9-5-14)17-10-6-15(7-11-17)13-20-12-2-3-18(21)19(20)22/h2-12,21H,13H2,1H3
InChIKeySNOUMXCQTKHFRD-UHFFFAOYSA-N
XLogP3.58
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[[4-(4-methylphenyl)phenyl]methyl]pyridin-2-one?
The IUPAC name of 3-hydroxy-1-[[4-(4-methylphenyl)phenyl]methyl]pyridin-2-one (CID 71142099) is 3-hydroxy-1-[[4-(4-methylphenyl)phenyl]methyl]pyridin-2-one.
What is the SMILES notation for 3-hydroxy-1-[[4-(4-methylphenyl)phenyl]methyl]pyridin-2-one?
The canonical SMILES for 3-hydroxy-1-[[4-(4-methylphenyl)phenyl]methyl]pyridin-2-one is Cc1ccc(-c2ccc(Cn3cccc(O)c3=O)cc2)cc1.
What is the InChIKey of 3-hydroxy-1-[[4-(4-methylphenyl)phenyl]methyl]pyridin-2-one?
The InChIKey is SNOUMXCQTKHFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c1-14-4-8-16(9-5-14)17-10-6-15(7-11-17)13-20-12-2-3-18(21)19(20)22/h2-12,21H,13H2,1H3.
What are the key properties of 3-hydroxy-1-[[4-(4-methylphenyl)phenyl]methyl]pyridin-2-one?
3-hydroxy-1-[[4-(4-methylphenyl)phenyl]methyl]pyridin-2-one has a molecular weight of 291.35 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[[4-(4-methylphenyl)phenyl]methyl]pyridin-2-one is sourced from PubChem (CID 71142099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).