4-fluoro-3-(2-formylphenyl)benzoic acid

C14H9FO3 — CID 53225111

IUPAC4-fluoro-3-(2-formylphenyl)benzoic acid
SMILESO=Cc1ccccc1-c1cc(C(=O)O)ccc1F
InChIInChI=1S/C14H9FO3/c15-13-6-5-9(14(17)18)7-12(13)11-4-2-1-3-10(11)8-16/h1-8H,(H,17,18)
InChIKeyKCIIRHRKQHUARW-UHFFFAOYSA-N
MW244.22 g/mol
LogP3.00
Rot. Bonds3

About 4-fluoro-3-(2-formylphenyl)benzoic acid

4-fluoro-3-(2-formylphenyl)benzoic acid (PubChem CID 53225111) has the molecular formula C14H9FO3 and a molecular weight of 244.22 g/mol. Its IUPAC name is 4-fluoro-3-(2-formylphenyl)benzoic acid.

Molecular Properties

Compound Name4-fluoro-3-(2-formylphenyl)benzoic acid
PubChem CID53225111
Molecular FormulaC14H9FO3
Molecular Weight244.22 g/mol
Exact Mass244.05
IUPAC Name4-fluoro-3-(2-formylphenyl)benzoic acid
SMILESO=Cc1ccccc1-c1cc(C(=O)O)ccc1F
InChIInChI=1S/C14H9FO3/c15-13-6-5-9(14(17)18)7-12(13)11-4-2-1-3-10(11)8-16/h1-8H,(H,17,18)
InChIKeyKCIIRHRKQHUARW-UHFFFAOYSA-N
XLogP3.00
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-bromophenyl)-4-fluorobenzoic acid
CID 107957461
2-[2-(oxo(113C)methyl)phenyl](13C2)benzaldehyde
CID 169434237
3-(2,4-difluorophenyl)-4-fluorobenzoic acid
CID 52984009
3-(1,3-dioxoisoindol-2-yl)-4-fluorobenzoic acid
CID 60828530
biphenylene-2-carboxylic acid;hydrochloride
CID 70419826
4-fluoro-3-(3-fluorophenyl)benzoic acid
CID 46312321
3-amino-5-(2-formylphenyl)benzoic acid
CID 53225105
4-fluoro-3-thiophen-2-ylbenzoic acid
CID 52984079
3,5-difluoro-4-(2-fluorophenyl)benzoic acid
CID 170919050
2-(3,4,5-trifluorophenyl)benzaldehyde
CID 61240259
4-fluoro-3-(3-methylphenyl)benzoic acid
CID 52984086
2-(2-hydroxyphenyl)benzaldehyde
CID 15593934

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(2-formylphenyl)benzoic acid?
The IUPAC name of 4-fluoro-3-(2-formylphenyl)benzoic acid (CID 53225111) is 4-fluoro-3-(2-formylphenyl)benzoic acid.
What is the SMILES notation for 4-fluoro-3-(2-formylphenyl)benzoic acid?
The canonical SMILES for 4-fluoro-3-(2-formylphenyl)benzoic acid is O=Cc1ccccc1-c1cc(C(=O)O)ccc1F.
What is the InChIKey of 4-fluoro-3-(2-formylphenyl)benzoic acid?
The InChIKey is KCIIRHRKQHUARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FO3/c15-13-6-5-9(14(17)18)7-12(13)11-4-2-1-3-10(11)8-16/h1-8H,(H,17,18).
What are the key properties of 4-fluoro-3-(2-formylphenyl)benzoic acid?
4-fluoro-3-(2-formylphenyl)benzoic acid has a molecular weight of 244.22 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(2-formylphenyl)benzoic acid is sourced from PubChem (CID 53225111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).