5-(2-hydroxy-4-methoxybenzoyl)-1-(3-methylphenyl)pyridin-2-one

C20H17NO4 — CID 44818098

IUPAC5-(2-hydroxy-4-methoxybenzoyl)-1-(3-methylphenyl)pyridin-2-one
SMILESCOc1ccc(C(=O)c2ccc(=O)n(-c3cccc(C)c3)c2)c(O)c1
InChIInChI=1S/C20H17NO4/c1-13-4-3-5-15(10-13)21-12-14(6-9-19(21)23)20(24)17-8-7-16(25-2)11-18(17)22/h3-12,22H,1-2H3
InChIKeyNQHIBBVIDPCTDW-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.09
Rot. Bonds4

About 5-(2-hydroxy-4-methoxybenzoyl)-1-(3-methylphenyl)pyridin-2-one

5-(2-hydroxy-4-methoxybenzoyl)-1-(3-methylphenyl)pyridin-2-one (PubChem CID 44818098) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is 5-(2-hydroxy-4-methoxybenzoyl)-1-(3-methylphenyl)pyridin-2-one.

Molecular Properties

Compound Name5-(2-hydroxy-4-methoxybenzoyl)-1-(3-methylphenyl)pyridin-2-one
PubChem CID44818098
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name5-(2-hydroxy-4-methoxybenzoyl)-1-(3-methylphenyl)pyridin-2-one
SMILESCOc1ccc(C(=O)c2ccc(=O)n(-c3cccc(C)c3)c2)c(O)c1
InChIInChI=1S/C20H17NO4/c1-13-4-3-5-15(10-13)21-12-14(6-9-19(21)23)20(24)17-8-7-16(25-2)11-18(17)22/h3-12,22H,1-2H3
InChIKeyNQHIBBVIDPCTDW-UHFFFAOYSA-N
XLogP3.09
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxy-4-methoxybenzoyl)-1-(3-methylphenyl)pyridin-2-one?
The IUPAC name of 5-(2-hydroxy-4-methoxybenzoyl)-1-(3-methylphenyl)pyridin-2-one (CID 44818098) is 5-(2-hydroxy-4-methoxybenzoyl)-1-(3-methylphenyl)pyridin-2-one.
What is the SMILES notation for 5-(2-hydroxy-4-methoxybenzoyl)-1-(3-methylphenyl)pyridin-2-one?
The canonical SMILES for 5-(2-hydroxy-4-methoxybenzoyl)-1-(3-methylphenyl)pyridin-2-one is COc1ccc(C(=O)c2ccc(=O)n(-c3cccc(C)c3)c2)c(O)c1.
What is the InChIKey of 5-(2-hydroxy-4-methoxybenzoyl)-1-(3-methylphenyl)pyridin-2-one?
The InChIKey is NQHIBBVIDPCTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c1-13-4-3-5-15(10-13)21-12-14(6-9-19(21)23)20(24)17-8-7-16(25-2)11-18(17)22/h3-12,22H,1-2H3.
What are the key properties of 5-(2-hydroxy-4-methoxybenzoyl)-1-(3-methylphenyl)pyridin-2-one?
5-(2-hydroxy-4-methoxybenzoyl)-1-(3-methylphenyl)pyridin-2-one has a molecular weight of 335.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxy-4-methoxybenzoyl)-1-(3-methylphenyl)pyridin-2-one is sourced from PubChem (CID 44818098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).