4-chloro-2-(4-cyclobutylphenyl)benzoic acid

C17H15ClO2 — CID 107989871

IUPAC4-chloro-2-(4-cyclobutylphenyl)benzoic acid
SMILESO=C(O)c1ccc(Cl)cc1-c1ccc(C2CCC2)cc1
InChIInChI=1S/C17H15ClO2/c18-14-8-9-15(17(19)20)16(10-14)13-6-4-12(5-7-13)11-2-1-3-11/h4-11H,1-3H2,(H,19,20)
InChIKeyNOKVUGBTFKAJPR-UHFFFAOYSA-N
MW286.76 g/mol
LogP4.97
Rot. Bonds3

About 4-chloro-2-(4-cyclobutylphenyl)benzoic acid

4-chloro-2-(4-cyclobutylphenyl)benzoic acid (PubChem CID 107989871) has the molecular formula C17H15ClO2 and a molecular weight of 286.76 g/mol. Its IUPAC name is 4-chloro-2-(4-cyclobutylphenyl)benzoic acid.

Molecular Properties

Compound Name4-chloro-2-(4-cyclobutylphenyl)benzoic acid
PubChem CID107989871
Molecular FormulaC17H15ClO2
Molecular Weight286.76 g/mol
Exact Mass286.08
IUPAC Name4-chloro-2-(4-cyclobutylphenyl)benzoic acid
SMILESO=C(O)c1ccc(Cl)cc1-c1ccc(C2CCC2)cc1
InChIInChI=1S/C17H15ClO2/c18-14-8-9-15(17(19)20)16(10-14)13-6-4-12(5-7-13)11-2-1-3-11/h4-11H,1-3H2,(H,19,20)
InChIKeyNOKVUGBTFKAJPR-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

4-chloro-2-phenylbenzoic acid
CID 11424784
4-chloro-2-[4-(hydroxymethyl)phenyl]benzoic acid
CID 53225386
4-chloro-2-(4-cyclohexylphenyl)aniline
CID 81275663
4-chloro-2-(3-chloro-4-fluorophenyl)benzoic acid
CID 53226934
4-chloro-2-(4-nitrophenyl)benzoic acid
CID 175503510
4-chloro-2-(3,4,5-trichlorophenyl)benzoic acid
CID 134629032
4-(4-cyclobutylphenyl)benzoic acid
CID 116506494
4-chloro-2-(4-ethoxyphenyl)benzoic acid
CID 107989630
4-chloro-2-(1,3-dihydro-2-benzofuran-5-yl)benzoic acid
CID 114024739
2-(3-cyclobutylphenyl)-4-methylbenzoic acid
CID 114605045
4-hydroxy-2-[4-(4-propylcyclohexyl)phenyl]benzoic acid
CID 67406965
3-(4-cyclobutylphenyl)thiophene-2-carboxylic acid
CID 116506484

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-cyclobutylphenyl)benzoic acid?
The IUPAC name of 4-chloro-2-(4-cyclobutylphenyl)benzoic acid (CID 107989871) is 4-chloro-2-(4-cyclobutylphenyl)benzoic acid.
What is the SMILES notation for 4-chloro-2-(4-cyclobutylphenyl)benzoic acid?
The canonical SMILES for 4-chloro-2-(4-cyclobutylphenyl)benzoic acid is O=C(O)c1ccc(Cl)cc1-c1ccc(C2CCC2)cc1.
What is the InChIKey of 4-chloro-2-(4-cyclobutylphenyl)benzoic acid?
The InChIKey is NOKVUGBTFKAJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClO2/c18-14-8-9-15(17(19)20)16(10-14)13-6-4-12(5-7-13)11-2-1-3-11/h4-11H,1-3H2,(H,19,20).
What are the key properties of 4-chloro-2-(4-cyclobutylphenyl)benzoic acid?
4-chloro-2-(4-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 4-chloro-2-(4-cyclobutylphenyl)benzoic acid is sourced from PubChem (CID 107989871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).