4-(2-chloro-4,5-dimethylphenyl)benzoic acid

C15H13ClO2 — CID 115484293

IUPAC4-(2-chloro-4,5-dimethylphenyl)benzoic acid
SMILESCc1cc(Cl)c(-c2ccc(C(=O)O)cc2)cc1C
InChIInChI=1S/C15H13ClO2/c1-9-7-13(14(16)8-10(9)2)11-3-5-12(6-4-11)15(17)18/h3-8H,1-2H3,(H,17,18)
InChIKeyYNJSWFCJGFHBRT-UHFFFAOYSA-N
MW260.72 g/mol
LogP4.32
Rot. Bonds2

About 4-(2-chloro-4,5-dimethylphenyl)benzoic acid

4-(2-chloro-4,5-dimethylphenyl)benzoic acid (PubChem CID 115484293) has the molecular formula C15H13ClO2 and a molecular weight of 260.72 g/mol. Its IUPAC name is 4-(2-chloro-4,5-dimethylphenyl)benzoic acid.

Molecular Properties

Compound Name4-(2-chloro-4,5-dimethylphenyl)benzoic acid
PubChem CID115484293
Molecular FormulaC15H13ClO2
Molecular Weight260.72 g/mol
Exact Mass260.06
IUPAC Name4-(2-chloro-4,5-dimethylphenyl)benzoic acid
SMILESCc1cc(Cl)c(-c2ccc(C(=O)O)cc2)cc1C
InChIInChI=1S/C15H13ClO2/c1-9-7-13(14(16)8-10(9)2)11-3-5-12(6-4-11)15(17)18/h3-8H,1-2H3,(H,17,18)
InChIKeyYNJSWFCJGFHBRT-UHFFFAOYSA-N
XLogP4.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-chloro-4-formyl-5-methylphenyl)benzoic acid
CID 173251927
3-(2-chloro-4,5-dimethylphenyl)benzoic acid
CID 115484300
4-[2,5-dimethyl-4-(4-methylphenyl)phenyl]benzoic acid
CID 154692263
5-(2-chloro-4,5-dimethylphenyl)pyridine-3-carboxylic acid
CID 113319492
4-(2-chloro-5-fluorophenyl)benzoic acid
CID 53426192
4-(2-chloro-5-methoxycarbonylphenyl)benzoic acid
CID 53218456
4-(2-chloro-5-methoxyphenyl)benzoic acid
CID 53218398
4-(4-acetylphenyl)-3-methylbenzoic acid
CID 53226031
4-[5-(1-aminoethyl)-2-chlorophenyl]benzoic acid
CID 82541823
4-chloro-3-(4-propan-2-ylphenyl)benzoic acid
CID 82124138
4-(4-chloro-3-methylphenyl)-3-methylbenzoic acid
CID 53226764
3-chloro-4-[4-(trifluoromethyl)phenyl]benzoic acid
CID 79018068

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4,5-dimethylphenyl)benzoic acid?
The IUPAC name of 4-(2-chloro-4,5-dimethylphenyl)benzoic acid (CID 115484293) is 4-(2-chloro-4,5-dimethylphenyl)benzoic acid.
What is the SMILES notation for 4-(2-chloro-4,5-dimethylphenyl)benzoic acid?
The canonical SMILES for 4-(2-chloro-4,5-dimethylphenyl)benzoic acid is Cc1cc(Cl)c(-c2ccc(C(=O)O)cc2)cc1C.
What is the InChIKey of 4-(2-chloro-4,5-dimethylphenyl)benzoic acid?
The InChIKey is YNJSWFCJGFHBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2/c1-9-7-13(14(16)8-10(9)2)11-3-5-12(6-4-11)15(17)18/h3-8H,1-2H3,(H,17,18).
What are the key properties of 4-(2-chloro-4,5-dimethylphenyl)benzoic acid?
4-(2-chloro-4,5-dimethylphenyl)benzoic acid has a molecular weight of 260.72 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4,5-dimethylphenyl)benzoic acid is sourced from PubChem (CID 115484293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).