3-(4-acetyl-2-fluorophenoxy)benzoic acid

C15H11FO4 — CID 61395599

IUPAC3-(4-acetyl-2-fluorophenoxy)benzoic acid
SMILESCC(=O)c1ccc(Oc2cccc(C(=O)O)c2)c(F)c1
InChIInChI=1S/C15H11FO4/c1-9(17)10-5-6-14(13(16)8-10)20-12-4-2-3-11(7-12)15(18)19/h2-8H,1H3,(H,18,19)
InChIKeyWOAUEKZUXNMLNL-UHFFFAOYSA-N
MW274.25 g/mol
LogP3.52
Rot. Bonds4

About 3-(4-acetyl-2-fluorophenoxy)benzoic acid

3-(4-acetyl-2-fluorophenoxy)benzoic acid (PubChem CID 61395599) has the molecular formula C15H11FO4 and a molecular weight of 274.25 g/mol. Its IUPAC name is 3-(4-acetyl-2-fluorophenoxy)benzoic acid.

Molecular Properties

Compound Name3-(4-acetyl-2-fluorophenoxy)benzoic acid
PubChem CID61395599
Molecular FormulaC15H11FO4
Molecular Weight274.25 g/mol
Exact Mass274.06
IUPAC Name3-(4-acetyl-2-fluorophenoxy)benzoic acid
SMILESCC(=O)c1ccc(Oc2cccc(C(=O)O)c2)c(F)c1
InChIInChI=1S/C15H11FO4/c1-9(17)10-5-6-14(13(16)8-10)20-12-4-2-3-11(7-12)15(18)19/h2-8H,1H3,(H,18,19)
InChIKeyWOAUEKZUXNMLNL-UHFFFAOYSA-N
XLogP3.52
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-bromo-2-fluorophenoxy)phenyl]ethanone
CID 79167211
4-(3-acetylphenoxy)-3-fluorobenzonitrile
CID 107665227
1-[3-fluoro-4-(3-methylsulfonylphenoxy)phenyl]ethanone
CID 43807076
1-[3-fluoro-4-(3-nitrophenoxy)phenyl]ethanone
CID 61030514
1-[3-(2-fluoro-4-nitrophenoxy)phenyl]ethanone
CID 47184501
1-[3-fluoro-4-[4-(trifluoromethyl)phenoxy]phenyl]ethanone
CID 142414912
1-[3-(2-fluoro-3-methylphenoxy)phenyl]ethanone
CID 107658623
3-fluoro-4-(4-hydroxyphenoxy)benzoic acid
CID 165360541
methyl 4-(4-acetyl-2-fluorophenoxy)benzoate
CID 60674012
1-[3-fluoro-4-(4-methylsulfanylphenoxy)phenyl]ethanone
CID 63647834
2-(4-acetyl-2-fluorophenoxy)-5-fluorobenzoic acid
CID 115298221
1-[4-(4-bromo-3,5-dimethylphenoxy)-3-fluorophenyl]ethanone
CID 107724721

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetyl-2-fluorophenoxy)benzoic acid?
The IUPAC name of 3-(4-acetyl-2-fluorophenoxy)benzoic acid (CID 61395599) is 3-(4-acetyl-2-fluorophenoxy)benzoic acid.
What is the SMILES notation for 3-(4-acetyl-2-fluorophenoxy)benzoic acid?
The canonical SMILES for 3-(4-acetyl-2-fluorophenoxy)benzoic acid is CC(=O)c1ccc(Oc2cccc(C(=O)O)c2)c(F)c1.
What is the InChIKey of 3-(4-acetyl-2-fluorophenoxy)benzoic acid?
The InChIKey is WOAUEKZUXNMLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FO4/c1-9(17)10-5-6-14(13(16)8-10)20-12-4-2-3-11(7-12)15(18)19/h2-8H,1H3,(H,18,19).
What are the key properties of 3-(4-acetyl-2-fluorophenoxy)benzoic acid?
3-(4-acetyl-2-fluorophenoxy)benzoic acid has a molecular weight of 274.25 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetyl-2-fluorophenoxy)benzoic acid is sourced from PubChem (CID 61395599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).