3-[(4-fluorophenyl)methoxy]-2-methylpyran-4-one

C13H11FO3 — CID 1479277

IUPAC3-[(4-fluorophenyl)methoxy]-2-methylpyran-4-one
SMILESCc1occc(=O)c1OCc1ccc(F)cc1
InChIInChI=1S/C13H11FO3/c1-9-13(12(15)6-7-16-9)17-8-10-2-4-11(14)5-3-10/h2-7H,8H2,1H3
InChIKeyJSPXGPOJCDKMEA-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.67
Rot. Bonds3

About 3-[(4-fluorophenyl)methoxy]-2-methylpyran-4-one

3-[(4-fluorophenyl)methoxy]-2-methylpyran-4-one (PubChem CID 1479277) has the molecular formula C13H11FO3 and a molecular weight of 234.23 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methoxy]-2-methylpyran-4-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methoxy]-2-methylpyran-4-one
PubChem CID1479277
Molecular FormulaC13H11FO3
Molecular Weight234.23 g/mol
Exact Mass234.07
IUPAC Name3-[(4-fluorophenyl)methoxy]-2-methylpyran-4-one
SMILESCc1occc(=O)c1OCc1ccc(F)cc1
InChIInChI=1S/C13H11FO3/c1-9-13(12(15)6-7-16-9)17-8-10-2-4-11(14)5-3-10/h2-7H,8H2,1H3
InChIKeyJSPXGPOJCDKMEA-UHFFFAOYSA-N
XLogP2.67
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(4-fluorophenyl)methoxy]-2-methylpyran-4-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)methoxy]-2-methylpyran-4-one?
The IUPAC name of 3-[(4-fluorophenyl)methoxy]-2-methylpyran-4-one (CID 1479277) is 3-[(4-fluorophenyl)methoxy]-2-methylpyran-4-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methoxy]-2-methylpyran-4-one?
The canonical SMILES for 3-[(4-fluorophenyl)methoxy]-2-methylpyran-4-one is Cc1occc(=O)c1OCc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methoxy]-2-methylpyran-4-one?
The InChIKey is JSPXGPOJCDKMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO3/c1-9-13(12(15)6-7-16-9)17-8-10-2-4-11(14)5-3-10/h2-7H,8H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methoxy]-2-methylpyran-4-one?
3-[(4-fluorophenyl)methoxy]-2-methylpyran-4-one has a molecular weight of 234.23 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methoxy]-2-methylpyran-4-one is sourced from PubChem (CID 1479277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).