2-(4-acetyl-2-fluorophenoxy)-5-fluorobenzoic acid

C15H10F2O4 — CID 115298221

IUPAC2-(4-acetyl-2-fluorophenoxy)-5-fluorobenzoic acid
SMILESCC(=O)c1ccc(Oc2ccc(F)cc2C(=O)O)c(F)c1
InChIInChI=1S/C15H10F2O4/c1-8(18)9-2-4-14(12(17)6-9)21-13-5-3-10(16)7-11(13)15(19)20/h2-7H,1H3,(H,19,20)
InChIKeyXULYPKPHGKVBDI-UHFFFAOYSA-N
MW292.24 g/mol
LogP3.66
Rot. Bonds4

About 2-(4-acetyl-2-fluorophenoxy)-5-fluorobenzoic acid

2-(4-acetyl-2-fluorophenoxy)-5-fluorobenzoic acid (PubChem CID 115298221) has the molecular formula C15H10F2O4 and a molecular weight of 292.24 g/mol. Its IUPAC name is 2-(4-acetyl-2-fluorophenoxy)-5-fluorobenzoic acid.

Molecular Properties

Compound Name2-(4-acetyl-2-fluorophenoxy)-5-fluorobenzoic acid
PubChem CID115298221
Molecular FormulaC15H10F2O4
Molecular Weight292.24 g/mol
Exact Mass292.05
IUPAC Name2-(4-acetyl-2-fluorophenoxy)-5-fluorobenzoic acid
SMILESCC(=O)c1ccc(Oc2ccc(F)cc2C(=O)O)c(F)c1
InChIInChI=1S/C15H10F2O4/c1-8(18)9-2-4-14(12(17)6-9)21-13-5-3-10(16)7-11(13)15(19)20/h2-7H,1H3,(H,19,20)
InChIKeyXULYPKPHGKVBDI-UHFFFAOYSA-N
XLogP3.66
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-acetyl-2-fluorophenoxy)-5-fluorobenzoic acid with MolForge

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

Launch Full Analysis

Related Compounds

1-[4-(2,4-difluorophenoxy)-3-methylphenyl]ethanone
CID 155458337
1-[3-fluoro-4-(4-fluoro-2-nitrophenoxy)phenyl]ethanone
CID 62368694
5-fluoro-2-(2-methoxyphenoxy)benzoic acid
CID 43313324
1-[4-(4-bromo-2-methylphenoxy)-3-fluorophenyl]ethanone
CID 63532817
1-[4-(2-bromo-4-methylphenoxy)-3-fluorophenyl]ethanone
CID 28602673
3-(4-acetyl-2-fluorophenoxy)benzoic acid
CID 61395599
1-[4-(4-bromo-3,5-dimethylphenoxy)-3-fluorophenyl]ethanone
CID 107724721
1-[4-(2,4-difluorophenoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone
CID 155572073
methyl 4-(4-acetyl-2-fluorophenoxy)benzoate
CID 60674012
1-[3-fluoro-4-(4-methylsulfanylphenoxy)phenyl]ethanone
CID 63647834
1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanone
CID 112689439
4-(2-bromo-4-fluorophenoxy)-3-fluorobenzamide
CID 43232827

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-fluorophenoxy)-5-fluorobenzoic acid?
The IUPAC name of 2-(4-acetyl-2-fluorophenoxy)-5-fluorobenzoic acid (CID 115298221) is 2-(4-acetyl-2-fluorophenoxy)-5-fluorobenzoic acid.
What is the SMILES notation for 2-(4-acetyl-2-fluorophenoxy)-5-fluorobenzoic acid?
The canonical SMILES for 2-(4-acetyl-2-fluorophenoxy)-5-fluorobenzoic acid is CC(=O)c1ccc(Oc2ccc(F)cc2C(=O)O)c(F)c1.
What is the InChIKey of 2-(4-acetyl-2-fluorophenoxy)-5-fluorobenzoic acid?
The InChIKey is XULYPKPHGKVBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2O4/c1-8(18)9-2-4-14(12(17)6-9)21-13-5-3-10(16)7-11(13)15(19)20/h2-7H,1H3,(H,19,20).
What are the key properties of 2-(4-acetyl-2-fluorophenoxy)-5-fluorobenzoic acid?
2-(4-acetyl-2-fluorophenoxy)-5-fluorobenzoic acid has a molecular weight of 292.24 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-fluorophenoxy)-5-fluorobenzoic acid is sourced from PubChem (CID 115298221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).