6-[4-(4-chlorophenyl)phenyl]-1-hydroxy-4-methylpyridin-2-one

C18H14ClNO2 — CID 134143542

IUPAC6-[4-(4-chlorophenyl)phenyl]-1-hydroxy-4-methylpyridin-2-one
SMILESCc1cc(-c2ccc(-c3ccc(Cl)cc3)cc2)n(O)c(=O)c1
InChIInChI=1S/C18H14ClNO2/c1-12-10-17(20(22)18(21)11-12)15-4-2-13(3-5-15)14-6-8-16(19)9-7-14/h2-11,22H,1H3
InChIKeyJAOOOBLGULRKJH-UHFFFAOYSA-N
MW311.77 g/mol
LogP4.38
Rot. Bonds2

About 6-[4-(4-chlorophenyl)phenyl]-1-hydroxy-4-methylpyridin-2-one

6-[4-(4-chlorophenyl)phenyl]-1-hydroxy-4-methylpyridin-2-one (PubChem CID 134143542) has the molecular formula C18H14ClNO2 and a molecular weight of 311.77 g/mol. Its IUPAC name is 6-[4-(4-chlorophenyl)phenyl]-1-hydroxy-4-methylpyridin-2-one.

Molecular Properties

Compound Name6-[4-(4-chlorophenyl)phenyl]-1-hydroxy-4-methylpyridin-2-one
PubChem CID134143542
Molecular FormulaC18H14ClNO2
Molecular Weight311.77 g/mol
Exact Mass311.07
IUPAC Name6-[4-(4-chlorophenyl)phenyl]-1-hydroxy-4-methylpyridin-2-one
SMILESCc1cc(-c2ccc(-c3ccc(Cl)cc3)cc2)n(O)c(=O)c1
InChIInChI=1S/C18H14ClNO2/c1-12-10-17(20(22)18(21)11-12)15-4-2-13(3-5-15)14-6-8-16(19)9-7-14/h2-11,22H,1H3
InChIKeyJAOOOBLGULRKJH-UHFFFAOYSA-N
XLogP4.38
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-chlorophenyl)phenyl]-1-hydroxy-4-methylpyridin-2-one?
The IUPAC name of 6-[4-(4-chlorophenyl)phenyl]-1-hydroxy-4-methylpyridin-2-one (CID 134143542) is 6-[4-(4-chlorophenyl)phenyl]-1-hydroxy-4-methylpyridin-2-one.
What is the SMILES notation for 6-[4-(4-chlorophenyl)phenyl]-1-hydroxy-4-methylpyridin-2-one?
The canonical SMILES for 6-[4-(4-chlorophenyl)phenyl]-1-hydroxy-4-methylpyridin-2-one is Cc1cc(-c2ccc(-c3ccc(Cl)cc3)cc2)n(O)c(=O)c1.
What is the InChIKey of 6-[4-(4-chlorophenyl)phenyl]-1-hydroxy-4-methylpyridin-2-one?
The InChIKey is JAOOOBLGULRKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO2/c1-12-10-17(20(22)18(21)11-12)15-4-2-13(3-5-15)14-6-8-16(19)9-7-14/h2-11,22H,1H3.
What are the key properties of 6-[4-(4-chlorophenyl)phenyl]-1-hydroxy-4-methylpyridin-2-one?
6-[4-(4-chlorophenyl)phenyl]-1-hydroxy-4-methylpyridin-2-one has a molecular weight of 311.77 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-chlorophenyl)phenyl]-1-hydroxy-4-methylpyridin-2-one is sourced from PubChem (CID 134143542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).