5-(2,5-dimethylphenyl)-2,4-dimethylbenzoic acid

C17H18O2 — CID 107515552

IUPAC5-(2,5-dimethylphenyl)-2,4-dimethylbenzoic acid
SMILESCc1ccc(C)c(-c2cc(C(=O)O)c(C)cc2C)c1
InChIInChI=1S/C17H18O2/c1-10-5-6-11(2)14(7-10)15-9-16(17(18)19)13(4)8-12(15)3/h5-9H,1-4H3,(H,18,19)
InChIKeyBAOHGXXCXWHVGS-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.29
Rot. Bonds2

About 5-(2,5-dimethylphenyl)-2,4-dimethylbenzoic acid

5-(2,5-dimethylphenyl)-2,4-dimethylbenzoic acid (PubChem CID 107515552) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 5-(2,5-dimethylphenyl)-2,4-dimethylbenzoic acid.

Molecular Properties

Compound Name5-(2,5-dimethylphenyl)-2,4-dimethylbenzoic acid
PubChem CID107515552
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name5-(2,5-dimethylphenyl)-2,4-dimethylbenzoic acid
SMILESCc1ccc(C)c(-c2cc(C(=O)O)c(C)cc2C)c1
InChIInChI=1S/C17H18O2/c1-10-5-6-11(2)14(7-10)15-9-16(17(18)19)13(4)8-12(15)3/h5-9H,1-4H3,(H,18,19)
InChIKeyBAOHGXXCXWHVGS-UHFFFAOYSA-N
XLogP4.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-amino-2-(2,5-dimethylphenyl)benzoic acid
CID 82292983
CID 162313209
CID 162313209
2-(2,5-dimethylphenyl)-4-nitrobenzoic acid
CID 53225236
5-(2,5-dimethylphenyl)-2-oxo-1H-pyridine-4-carboxylic acid
CID 53222685
2-chloro-5-(2,5-dimethylphenyl)pyridine-4-carboxylic acid
CID 53222689
5-(2,5-dimethylphenyl)-1-methyl-2-propan-2-ylpyrrole-3-carboxylic acid
CID 82093263
2,4-dimethyl-5-pyridin-4-ylbenzoic acid
CID 107515528
4-(2,5-dimethylphenyl)-2-fluorobenzoic acid
CID 53211178
5-(2,5-dimethylphenyl)-2-methyl-1-propylpyrrole-3-carboxylic acid
CID 82093262
3-(2,5-dimethylphenyl)-1H-pyrrole-2-carboxylic acid
CID 79325240
5-bromo-2-(2,4-dimethylphenyl)benzoic acid
CID 114032341
6-(2,5-dimethylphenyl)-5-methyl-2-sulfanylidene-1H-pyridine-3-carboxylic acid
CID 82124065

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenyl)-2,4-dimethylbenzoic acid?
The IUPAC name of 5-(2,5-dimethylphenyl)-2,4-dimethylbenzoic acid (CID 107515552) is 5-(2,5-dimethylphenyl)-2,4-dimethylbenzoic acid.
What is the SMILES notation for 5-(2,5-dimethylphenyl)-2,4-dimethylbenzoic acid?
The canonical SMILES for 5-(2,5-dimethylphenyl)-2,4-dimethylbenzoic acid is Cc1ccc(C)c(-c2cc(C(=O)O)c(C)cc2C)c1.
What is the InChIKey of 5-(2,5-dimethylphenyl)-2,4-dimethylbenzoic acid?
The InChIKey is BAOHGXXCXWHVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-10-5-6-11(2)14(7-10)15-9-16(17(18)19)13(4)8-12(15)3/h5-9H,1-4H3,(H,18,19).
What are the key properties of 5-(2,5-dimethylphenyl)-2,4-dimethylbenzoic acid?
5-(2,5-dimethylphenyl)-2,4-dimethylbenzoic acid has a molecular weight of 254.33 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylphenyl)-2,4-dimethylbenzoic acid is sourced from PubChem (CID 107515552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).