4-(4-cyclobutylphenyl)benzoic acid

C17H16O2 — CID 116506494

IUPAC4-(4-cyclobutylphenyl)benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(C3CCC3)cc2)cc1
InChIInChI=1S/C17H16O2/c18-17(19)16-10-8-15(9-11-16)14-6-4-13(5-7-14)12-2-1-3-12/h4-12H,1-3H2,(H,18,19)
InChIKeyHWSNVNWRCXEBRL-UHFFFAOYSA-N
MW252.31 g/mol
LogP4.32
Rot. Bonds3

About 4-(4-cyclobutylphenyl)benzoic acid

4-(4-cyclobutylphenyl)benzoic acid (PubChem CID 116506494) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-(4-cyclobutylphenyl)benzoic acid.

Molecular Properties

Compound Name4-(4-cyclobutylphenyl)benzoic acid
PubChem CID116506494
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name4-(4-cyclobutylphenyl)benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(C3CCC3)cc2)cc1
InChIInChI=1S/C17H16O2/c18-17(19)16-10-8-15(9-11-16)14-6-4-13(5-7-14)12-2-1-3-12/h4-12H,1-3H2,(H,18,19)
InChIKeyHWSNVNWRCXEBRL-UHFFFAOYSA-N
XLogP4.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(4-cyclobutylphenyl)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

Related Compounds

1-cyclopentyl-4-(4-cyclopentylphenyl)benzene;hydrogen peroxide
CID 175056737
4-(4-carboxycyclohexyl)benzoic acid;4-(4-carboxycyclohexyl)cyclohexane-1-carboxylic acid;4-(4-carboxyphenyl)benzoic acid
CID 160674040
1-cyclohexyl-4-(4-cyclohexylphenyl)benzene;hydrogen peroxide
CID 175051125
4-(1-methylazepan-4-yl)benzoic acid
CID 83841215
4-(4-methylcyclohexyl)benzoic acid
CID 56632428
4-[(4-cyclohexylphenyl)-sulfanylmethyl]benzoic acid
CID 22216670
4-[(3S)-piperidin-3-yl]benzoic acid;hydrochloride
CID 154574772
4-[2-(4-cyclohexylphenoxy)ethoxy]benzoic acid
CID 22682606
4-[5-(4-cyclohexylphenyl)-1,2-oxazol-3-yl]benzoic acid
CID 58428392
4-[2-[1-(4-cyclohexylphenyl)ethylidene]hydrazinyl]benzoic acid
CID 3435837
2-[4-(4-cyclohexylphenyl)phenyl]-2-methylpropanoic acid
CID 11522654
5-(4-cyclohexylphenyl)pyridine-2-carboxylic acid
CID 63424090

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclobutylphenyl)benzoic acid?
The IUPAC name of 4-(4-cyclobutylphenyl)benzoic acid (CID 116506494) is 4-(4-cyclobutylphenyl)benzoic acid.
What is the SMILES notation for 4-(4-cyclobutylphenyl)benzoic acid?
The canonical SMILES for 4-(4-cyclobutylphenyl)benzoic acid is O=C(O)c1ccc(-c2ccc(C3CCC3)cc2)cc1.
What is the InChIKey of 4-(4-cyclobutylphenyl)benzoic acid?
The InChIKey is HWSNVNWRCXEBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c18-17(19)16-10-8-15(9-11-16)14-6-4-13(5-7-14)12-2-1-3-12/h4-12H,1-3H2,(H,18,19).
What are the key properties of 4-(4-cyclobutylphenyl)benzoic acid?
4-(4-cyclobutylphenyl)benzoic acid has a molecular weight of 252.31 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclobutylphenyl)benzoic acid is sourced from PubChem (CID 116506494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).