4-hydroxy-5-methyl-3,6-diphenyl-1H-pyridin-2-one

C18H15NO2 — CID 54683716

IUPAC4-hydroxy-5-methyl-3,6-diphenyl-1H-pyridin-2-one
SMILESCc1c(-c2ccccc2)[nH]c(=O)c(-c2ccccc2)c1O
InChIInChI=1S/C18H15NO2/c1-12-16(14-10-6-3-7-11-14)19-18(21)15(17(12)20)13-8-4-2-5-9-13/h2-11H,1H3,(H2,19,20,21)
InChIKeyHSGTZVVYTOTHMC-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.72
Rot. Bonds2

About 4-hydroxy-5-methyl-3,6-diphenyl-1H-pyridin-2-one

4-hydroxy-5-methyl-3,6-diphenyl-1H-pyridin-2-one (PubChem CID 54683716) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-3,6-diphenyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-3,6-diphenyl-1H-pyridin-2-one
PubChem CID54683716
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name4-hydroxy-5-methyl-3,6-diphenyl-1H-pyridin-2-one
SMILESCc1c(-c2ccccc2)[nH]c(=O)c(-c2ccccc2)c1O
InChIInChI=1S/C18H15NO2/c1-12-16(14-10-6-3-7-11-14)19-18(21)15(17(12)20)13-8-4-2-5-9-13/h2-11H,1H3,(H2,19,20,21)
InChIKeyHSGTZVVYTOTHMC-UHFFFAOYSA-N
XLogP3.72
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-3,6-diphenyl-1H-pyridin-2-one?
The IUPAC name of 4-hydroxy-5-methyl-3,6-diphenyl-1H-pyridin-2-one (CID 54683716) is 4-hydroxy-5-methyl-3,6-diphenyl-1H-pyridin-2-one.
What is the SMILES notation for 4-hydroxy-5-methyl-3,6-diphenyl-1H-pyridin-2-one?
The canonical SMILES for 4-hydroxy-5-methyl-3,6-diphenyl-1H-pyridin-2-one is Cc1c(-c2ccccc2)[nH]c(=O)c(-c2ccccc2)c1O.
What is the InChIKey of 4-hydroxy-5-methyl-3,6-diphenyl-1H-pyridin-2-one?
The InChIKey is HSGTZVVYTOTHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-12-16(14-10-6-3-7-11-14)19-18(21)15(17(12)20)13-8-4-2-5-9-13/h2-11H,1H3,(H2,19,20,21).
What are the key properties of 4-hydroxy-5-methyl-3,6-diphenyl-1H-pyridin-2-one?
4-hydroxy-5-methyl-3,6-diphenyl-1H-pyridin-2-one has a molecular weight of 277.32 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-3,6-diphenyl-1H-pyridin-2-one is sourced from PubChem (CID 54683716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).