3-[4-(4-fluorophenyl)furan-2-yl]benzoic acid

C17H11FO3 — CID 118486607

IUPAC3-[4-(4-fluorophenyl)furan-2-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2cc(-c3ccc(F)cc3)co2)c1
InChIInChI=1S/C17H11FO3/c18-15-6-4-11(5-7-15)14-9-16(21-10-14)12-2-1-3-13(8-12)17(19)20/h1-10H,(H,19,20)
InChIKeyOAZXEYGTYZQSLG-UHFFFAOYSA-N
MW282.27 g/mol
LogP4.45
Rot. Bonds3

About 3-[4-(4-fluorophenyl)furan-2-yl]benzoic acid

3-[4-(4-fluorophenyl)furan-2-yl]benzoic acid (PubChem CID 118486607) has the molecular formula C17H11FO3 and a molecular weight of 282.27 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)furan-2-yl]benzoic acid.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)furan-2-yl]benzoic acid
PubChem CID118486607
Molecular FormulaC17H11FO3
Molecular Weight282.27 g/mol
Exact Mass282.07
IUPAC Name3-[4-(4-fluorophenyl)furan-2-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2cc(-c3ccc(F)cc3)co2)c1
InChIInChI=1S/C17H11FO3/c18-15-6-4-11(5-7-15)14-9-16(21-10-14)12-2-1-3-13(8-12)17(19)20/h1-10H,(H,19,20)
InChIKeyOAZXEYGTYZQSLG-UHFFFAOYSA-N
XLogP4.45
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[4-(4-fluorophenyl)furan-2-yl]benzoic acid 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-(4-fluorophenyl)furan-2-yl]benzoic acid?
The IUPAC name of 3-[4-(4-fluorophenyl)furan-2-yl]benzoic acid (CID 118486607) is 3-[4-(4-fluorophenyl)furan-2-yl]benzoic acid.
What is the SMILES notation for 3-[4-(4-fluorophenyl)furan-2-yl]benzoic acid?
The canonical SMILES for 3-[4-(4-fluorophenyl)furan-2-yl]benzoic acid is O=C(O)c1cccc(-c2cc(-c3ccc(F)cc3)co2)c1.
What is the InChIKey of 3-[4-(4-fluorophenyl)furan-2-yl]benzoic acid?
The InChIKey is OAZXEYGTYZQSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FO3/c18-15-6-4-11(5-7-15)14-9-16(21-10-14)12-2-1-3-13(8-12)17(19)20/h1-10H,(H,19,20).
What are the key properties of 3-[4-(4-fluorophenyl)furan-2-yl]benzoic acid?
3-[4-(4-fluorophenyl)furan-2-yl]benzoic acid has a molecular weight of 282.27 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)furan-2-yl]benzoic acid is sourced from PubChem (CID 118486607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).