1-hexyl-5-(2-hydroxybenzoyl)pyridin-2-one

C18H21NO3 — CID 74983123

IUPAC1-hexyl-5-(2-hydroxybenzoyl)pyridin-2-one
SMILESCCCCCCn1cc(C(=O)c2ccccc2O)ccc1=O
InChIInChI=1S/C18H21NO3/c1-2-3-4-7-12-19-13-14(10-11-17(19)21)18(22)15-8-5-6-9-16(15)20/h5-6,8-11,13,20H,2-4,7,12H2,1H3
InChIKeyAREBZNLXVYECAU-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.37
Rot. Bonds7

About 1-hexyl-5-(2-hydroxybenzoyl)pyridin-2-one

1-hexyl-5-(2-hydroxybenzoyl)pyridin-2-one (PubChem CID 74983123) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-hexyl-5-(2-hydroxybenzoyl)pyridin-2-one.

Molecular Properties

Compound Name1-hexyl-5-(2-hydroxybenzoyl)pyridin-2-one
PubChem CID74983123
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name1-hexyl-5-(2-hydroxybenzoyl)pyridin-2-one
SMILESCCCCCCn1cc(C(=O)c2ccccc2O)ccc1=O
InChIInChI=1S/C18H21NO3/c1-2-3-4-7-12-19-13-14(10-11-17(19)21)18(22)15-8-5-6-9-16(15)20/h5-6,8-11,13,20H,2-4,7,12H2,1H3
InChIKeyAREBZNLXVYECAU-UHFFFAOYSA-N
XLogP3.37
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hexyl-5-(2-hydroxybenzoyl)pyridin-2-one?
The IUPAC name of 1-hexyl-5-(2-hydroxybenzoyl)pyridin-2-one (CID 74983123) is 1-hexyl-5-(2-hydroxybenzoyl)pyridin-2-one.
What is the SMILES notation for 1-hexyl-5-(2-hydroxybenzoyl)pyridin-2-one?
The canonical SMILES for 1-hexyl-5-(2-hydroxybenzoyl)pyridin-2-one is CCCCCCn1cc(C(=O)c2ccccc2O)ccc1=O.
What is the InChIKey of 1-hexyl-5-(2-hydroxybenzoyl)pyridin-2-one?
The InChIKey is AREBZNLXVYECAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-2-3-4-7-12-19-13-14(10-11-17(19)21)18(22)15-8-5-6-9-16(15)20/h5-6,8-11,13,20H,2-4,7,12H2,1H3.
What are the key properties of 1-hexyl-5-(2-hydroxybenzoyl)pyridin-2-one?
1-hexyl-5-(2-hydroxybenzoyl)pyridin-2-one has a molecular weight of 299.37 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-5-(2-hydroxybenzoyl)pyridin-2-one is sourced from PubChem (CID 74983123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).