3-chloro-4-(3-cyclobutylphenyl)benzoic acid

C17H15ClO2 — CID 114605040

IUPAC3-chloro-4-(3-cyclobutylphenyl)benzoic acid
SMILESO=C(O)c1ccc(-c2cccc(C3CCC3)c2)c(Cl)c1
InChIInChI=1S/C17H15ClO2/c18-16-10-14(17(19)20)7-8-15(16)13-6-2-5-12(9-13)11-3-1-4-11/h2,5-11H,1,3-4H2,(H,19,20)
InChIKeyGVPZIOTVAOXGPD-UHFFFAOYSA-N
MW286.76 g/mol
LogP4.97
Rot. Bonds3

About 3-chloro-4-(3-cyclobutylphenyl)benzoic acid

3-chloro-4-(3-cyclobutylphenyl)benzoic acid (PubChem CID 114605040) has the molecular formula C17H15ClO2 and a molecular weight of 286.76 g/mol. Its IUPAC name is 3-chloro-4-(3-cyclobutylphenyl)benzoic acid.

Molecular Properties

Compound Name3-chloro-4-(3-cyclobutylphenyl)benzoic acid
PubChem CID114605040
Molecular FormulaC17H15ClO2
Molecular Weight286.76 g/mol
Exact Mass286.08
IUPAC Name3-chloro-4-(3-cyclobutylphenyl)benzoic acid
SMILESO=C(O)c1ccc(-c2cccc(C3CCC3)c2)c(Cl)c1
InChIInChI=1S/C17H15ClO2/c18-16-10-14(17(19)20)7-8-15(16)13-6-2-5-12(9-13)11-3-1-4-11/h2,5-11H,1,3-4H2,(H,19,20)
InChIKeyGVPZIOTVAOXGPD-UHFFFAOYSA-N
XLogP4.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-4-(3-cyclobutylphenyl)aniline
CID 107616028
2-(3-cyclobutylphenyl)-5-methylbenzoic acid
CID 114605041
2-(3-cyclobutylphenyl)-4-methylbenzoic acid
CID 114605045
4-(4-carboxy-2-chlorophenyl)-3-chlorobenzoic acid;dihydrochloride
CID 67933510
3-chloro-4-(3,5-dichlorophenyl)benzoic acid
CID 114879100
3-(3-chloro-4-phenylphenyl)benzoic acid
CID 68550089
4-(3-cyclobutylphenyl)-2-fluorobenzoic acid
CID 114605034
4-(4-cyclobutylphenyl)benzoic acid
CID 116506494
[4-cyclohexyl-2-(3-cyclohexylphenyl)phenyl] hydrogen carbonate
CID 151441259
1,3-dicyclohexylbenzene;hydrogen peroxide
CID 88772360
4-(3-chlorophenyl)-3-hydroxybenzoic acid
CID 53225819
3-(3-oxocyclohexyl)benzoic acid
CID 115030552

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(3-cyclobutylphenyl)benzoic acid?
The IUPAC name of 3-chloro-4-(3-cyclobutylphenyl)benzoic acid (CID 114605040) is 3-chloro-4-(3-cyclobutylphenyl)benzoic acid.
What is the SMILES notation for 3-chloro-4-(3-cyclobutylphenyl)benzoic acid?
The canonical SMILES for 3-chloro-4-(3-cyclobutylphenyl)benzoic acid is O=C(O)c1ccc(-c2cccc(C3CCC3)c2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(3-cyclobutylphenyl)benzoic acid?
The InChIKey is GVPZIOTVAOXGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClO2/c18-16-10-14(17(19)20)7-8-15(16)13-6-2-5-12(9-13)11-3-1-4-11/h2,5-11H,1,3-4H2,(H,19,20).
What are the key properties of 3-chloro-4-(3-cyclobutylphenyl)benzoic acid?
3-chloro-4-(3-cyclobutylphenyl)benzoic acid has a molecular weight of 286.76 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(3-cyclobutylphenyl)benzoic acid is sourced from PubChem (CID 114605040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).