1-cyclohexyl-4-hydroxy-6-methyl-3-phenylpyridin-2-one

C18H21NO2 — CID 54719915

IUPAC1-cyclohexyl-4-hydroxy-6-methyl-3-phenylpyridin-2-one
SMILESCc1cc(O)c(-c2ccccc2)c(=O)n1C1CCCCC1
InChIInChI=1S/C18H21NO2/c1-13-12-16(20)17(14-8-4-2-5-9-14)18(21)19(13)15-10-6-3-7-11-15/h2,4-5,8-9,12,15,20H,3,6-7,10-11H2,1H3
InChIKeyPNFAYUZGCQDWAJ-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.03
Rot. Bonds2

About 1-cyclohexyl-4-hydroxy-6-methyl-3-phenylpyridin-2-one

1-cyclohexyl-4-hydroxy-6-methyl-3-phenylpyridin-2-one (PubChem CID 54719915) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-cyclohexyl-4-hydroxy-6-methyl-3-phenylpyridin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-4-hydroxy-6-methyl-3-phenylpyridin-2-one
PubChem CID54719915
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name1-cyclohexyl-4-hydroxy-6-methyl-3-phenylpyridin-2-one
SMILESCc1cc(O)c(-c2ccccc2)c(=O)n1C1CCCCC1
InChIInChI=1S/C18H21NO2/c1-13-12-16(20)17(14-8-4-2-5-9-14)18(21)19(13)15-10-6-3-7-11-15/h2,4-5,8-9,12,15,20H,3,6-7,10-11H2,1H3
InChIKeyPNFAYUZGCQDWAJ-UHFFFAOYSA-N
XLogP4.03
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-hydroxy-6-methyl-3-phenylpyridin-2-one?
The IUPAC name of 1-cyclohexyl-4-hydroxy-6-methyl-3-phenylpyridin-2-one (CID 54719915) is 1-cyclohexyl-4-hydroxy-6-methyl-3-phenylpyridin-2-one.
What is the SMILES notation for 1-cyclohexyl-4-hydroxy-6-methyl-3-phenylpyridin-2-one?
The canonical SMILES for 1-cyclohexyl-4-hydroxy-6-methyl-3-phenylpyridin-2-one is Cc1cc(O)c(-c2ccccc2)c(=O)n1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-4-hydroxy-6-methyl-3-phenylpyridin-2-one?
The InChIKey is PNFAYUZGCQDWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13-12-16(20)17(14-8-4-2-5-9-14)18(21)19(13)15-10-6-3-7-11-15/h2,4-5,8-9,12,15,20H,3,6-7,10-11H2,1H3.
What are the key properties of 1-cyclohexyl-4-hydroxy-6-methyl-3-phenylpyridin-2-one?
1-cyclohexyl-4-hydroxy-6-methyl-3-phenylpyridin-2-one has a molecular weight of 283.37 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-hydroxy-6-methyl-3-phenylpyridin-2-one is sourced from PubChem (CID 54719915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).