4-(2-acetylphenyl)-2-fluorobenzoic acid

C15H11FO3 — CID 70699728

IUPAC4-(2-acetylphenyl)-2-fluorobenzoic acid
SMILESCC(=O)c1ccccc1-c1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C15H11FO3/c1-9(17)11-4-2-3-5-12(11)10-6-7-13(15(18)19)14(16)8-10/h2-8H,1H3,(H,18,19)
InChIKeyXTPPPCROVGUUCV-UHFFFAOYSA-N
MW258.25 g/mol
LogP3.39
Rot. Bonds3

About 4-(2-acetylphenyl)-2-fluorobenzoic acid

4-(2-acetylphenyl)-2-fluorobenzoic acid (PubChem CID 70699728) has the molecular formula C15H11FO3 and a molecular weight of 258.25 g/mol. Its IUPAC name is 4-(2-acetylphenyl)-2-fluorobenzoic acid.

Molecular Properties

Compound Name4-(2-acetylphenyl)-2-fluorobenzoic acid
PubChem CID70699728
Molecular FormulaC15H11FO3
Molecular Weight258.25 g/mol
Exact Mass258.07
IUPAC Name4-(2-acetylphenyl)-2-fluorobenzoic acid
SMILESCC(=O)c1ccccc1-c1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C15H11FO3/c1-9(17)11-4-2-3-5-12(11)10-6-7-13(15(18)19)14(16)8-10/h2-8H,1H3,(H,18,19)
InChIKeyXTPPPCROVGUUCV-UHFFFAOYSA-N
XLogP3.39
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-acetylphenyl)-2-fluorobenzoate
CID 86307867
4-(2-carbamoylphenyl)-2-fluorobenzoic acid
CID 150992694
1-[2-(4-fluoro-3-methylphenyl)phenyl]ethanone
CID 54912273
4-(2,3-difluorophenyl)-2-fluorobenzoic acid
CID 53225927
4-(2-fluorophenyl)phthalic acid
CID 71119653
2-fluoro-4-(2-fluoro-5-methylphenyl)benzoic acid
CID 53211098
2-fluoro-4-(2-phenylmethoxyphenyl)benzoic acid
CID 53228660
4-(2,5-dimethylphenyl)-2-fluorobenzoic acid
CID 53211178
2-fluoro-4-(5-fluoro-2-methylphenyl)benzoic acid
CID 53211117
2-(3-acetylphenyl)benzoic acid
CID 2756265
1-[4-(2-acetylphenyl)phenyl]ethanone
CID 11207145
4-[2-(5-ethoxycarbonyl-2H-triazol-4-yl)phenyl]-2-fluorobenzoic acid
CID 169400274

Frequently Asked Questions

What is the IUPAC name of 4-(2-acetylphenyl)-2-fluorobenzoic acid?
The IUPAC name of 4-(2-acetylphenyl)-2-fluorobenzoic acid (CID 70699728) is 4-(2-acetylphenyl)-2-fluorobenzoic acid.
What is the SMILES notation for 4-(2-acetylphenyl)-2-fluorobenzoic acid?
The canonical SMILES for 4-(2-acetylphenyl)-2-fluorobenzoic acid is CC(=O)c1ccccc1-c1ccc(C(=O)O)c(F)c1.
What is the InChIKey of 4-(2-acetylphenyl)-2-fluorobenzoic acid?
The InChIKey is XTPPPCROVGUUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FO3/c1-9(17)11-4-2-3-5-12(11)10-6-7-13(15(18)19)14(16)8-10/h2-8H,1H3,(H,18,19).
What are the key properties of 4-(2-acetylphenyl)-2-fluorobenzoic acid?
4-(2-acetylphenyl)-2-fluorobenzoic acid has a molecular weight of 258.25 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-acetylphenyl)-2-fluorobenzoic acid is sourced from PubChem (CID 70699728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).