4-(2-cyclobutylphenyl)-3-fluorobenzoic acid

C17H15FO2 — CID 114605073

IUPAC4-(2-cyclobutylphenyl)-3-fluorobenzoic acid
SMILESO=C(O)c1ccc(-c2ccccc2C2CCC2)c(F)c1
InChIInChI=1S/C17H15FO2/c18-16-10-12(17(19)20)8-9-15(16)14-7-2-1-6-13(14)11-4-3-5-11/h1-2,6-11H,3-5H2,(H,19,20)
InChIKeyHTCGTGVJTHIDQR-UHFFFAOYSA-N
MW270.30 g/mol
LogP4.46
Rot. Bonds3

About 4-(2-cyclobutylphenyl)-3-fluorobenzoic acid

4-(2-cyclobutylphenyl)-3-fluorobenzoic acid (PubChem CID 114605073) has the molecular formula C17H15FO2 and a molecular weight of 270.30 g/mol. Its IUPAC name is 4-(2-cyclobutylphenyl)-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-(2-cyclobutylphenyl)-3-fluorobenzoic acid
PubChem CID114605073
Molecular FormulaC17H15FO2
Molecular Weight270.30 g/mol
Exact Mass270.11
IUPAC Name4-(2-cyclobutylphenyl)-3-fluorobenzoic acid
SMILESO=C(O)c1ccc(-c2ccccc2C2CCC2)c(F)c1
InChIInChI=1S/C17H15FO2/c18-16-10-12(17(19)20)8-9-15(16)14-7-2-1-6-13(14)11-4-3-5-11/h1-2,6-11H,3-5H2,(H,19,20)
InChIKeyHTCGTGVJTHIDQR-UHFFFAOYSA-N
XLogP4.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(2-cyclobutylphenyl)-3-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

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclobutylphenyl)-3-fluorobenzoic acid?
The IUPAC name of 4-(2-cyclobutylphenyl)-3-fluorobenzoic acid (CID 114605073) is 4-(2-cyclobutylphenyl)-3-fluorobenzoic acid.
What is the SMILES notation for 4-(2-cyclobutylphenyl)-3-fluorobenzoic acid?
The canonical SMILES for 4-(2-cyclobutylphenyl)-3-fluorobenzoic acid is O=C(O)c1ccc(-c2ccccc2C2CCC2)c(F)c1.
What is the InChIKey of 4-(2-cyclobutylphenyl)-3-fluorobenzoic acid?
The InChIKey is HTCGTGVJTHIDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO2/c18-16-10-12(17(19)20)8-9-15(16)14-7-2-1-6-13(14)11-4-3-5-11/h1-2,6-11H,3-5H2,(H,19,20).
What are the key properties of 4-(2-cyclobutylphenyl)-3-fluorobenzoic acid?
4-(2-cyclobutylphenyl)-3-fluorobenzoic acid has a molecular weight of 270.30 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclobutylphenyl)-3-fluorobenzoic acid is sourced from PubChem (CID 114605073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).