3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-methoxypropyl)pyridin-2-one

C16H18FNO3 — CID 54687587

IUPAC3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-methoxypropyl)pyridin-2-one
SMILESCOCCCn1ccc(O)c(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C16H18FNO3/c1-21-10-2-8-18-9-7-15(19)14(16(18)20)11-12-3-5-13(17)6-4-12/h3-7,9,19H,2,8,10-11H2,1H3
InChIKeyAZPRAFPDBRUYRN-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.32
Rot. Bonds6

About 3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-methoxypropyl)pyridin-2-one

3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-methoxypropyl)pyridin-2-one (PubChem CID 54687587) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-methoxypropyl)pyridin-2-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-methoxypropyl)pyridin-2-one
PubChem CID54687587
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC Name3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-methoxypropyl)pyridin-2-one
SMILESCOCCCn1ccc(O)c(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C16H18FNO3/c1-21-10-2-8-18-9-7-15(19)14(16(18)20)11-12-3-5-13(17)6-4-12/h3-7,9,19H,2,8,10-11H2,1H3
InChIKeyAZPRAFPDBRUYRN-UHFFFAOYSA-N
XLogP2.32
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-methoxypropyl)pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-methoxypropyl)pyridin-2-one?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-methoxypropyl)pyridin-2-one (CID 54687587) is 3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-methoxypropyl)pyridin-2-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-methoxypropyl)pyridin-2-one?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-methoxypropyl)pyridin-2-one is COCCCn1ccc(O)c(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-methoxypropyl)pyridin-2-one?
The InChIKey is AZPRAFPDBRUYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3/c1-21-10-2-8-18-9-7-15(19)14(16(18)20)11-12-3-5-13(17)6-4-12/h3-7,9,19H,2,8,10-11H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-methoxypropyl)pyridin-2-one?
3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-methoxypropyl)pyridin-2-one has a molecular weight of 291.32 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-methoxypropyl)pyridin-2-one is sourced from PubChem (CID 54687587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).