4-(2,4-dimethylphenyl)-3-methylbenzoic acid

C16H16O2 — CID 53225261

IUPAC4-(2,4-dimethylphenyl)-3-methylbenzoic acid
SMILESCc1ccc(-c2ccc(C(=O)O)cc2C)c(C)c1
InChIInChI=1S/C16H16O2/c1-10-4-6-14(11(2)8-10)15-7-5-13(16(17)18)9-12(15)3/h4-9H,1-3H3,(H,17,18)
InChIKeySEGDEFXWAZDLEU-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.98
Rot. Bonds2

About 4-(2,4-dimethylphenyl)-3-methylbenzoic acid

4-(2,4-dimethylphenyl)-3-methylbenzoic acid (PubChem CID 53225261) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)-3-methylbenzoic acid.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)-3-methylbenzoic acid
PubChem CID53225261
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name4-(2,4-dimethylphenyl)-3-methylbenzoic acid
SMILESCc1ccc(-c2ccc(C(=O)O)cc2C)c(C)c1
InChIInChI=1S/C16H16O2/c1-10-4-6-14(11(2)8-10)15-7-5-13(16(17)18)9-12(15)3/h4-9H,1-3H3,(H,17,18)
InChIKeySEGDEFXWAZDLEU-UHFFFAOYSA-N
XLogP3.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-4-(2,4-dimethylphenyl)benzoic acid
CID 81307407
3-(2,4-dimethylphenyl)-4-hydroxybenzoic acid
CID 82293341
4-(2,4-dimethylanilino)-3-methylbenzoic acid
CID 55225092
4-[2,5-dimethyl-4-(4-methylphenyl)phenyl]benzoic acid
CID 154692263
4-(4-acetylphenyl)-3-methylbenzoic acid
CID 53226031
8-(2,4-dimethylphenyl)-5,6-dihydronaphthalene-2-carboxylic acid
CID 58407165
3-hydroxy-4-(2,4,5-trimethylphenyl)benzoic acid
CID 114103412
4-(2,4-difluoro-5-iodophenyl)-3-methylbenzoic acid
CID 123301985
4-(2,4-dimethoxyphenyl)-3-methylbenzoic acid
CID 53227204
3-(4-fluoro-2-methylphenyl)-4-methylbenzoic acid
CID 81476549
3-(2,4-dimethylphenyl)-1H-pyrrole-2-carboxylic acid
CID 79324740
4-chloro-3-(2-chloro-4-methylphenyl)benzoic acid
CID 53226634

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenyl)-3-methylbenzoic acid?
The IUPAC name of 4-(2,4-dimethylphenyl)-3-methylbenzoic acid (CID 53225261) is 4-(2,4-dimethylphenyl)-3-methylbenzoic acid.
What is the SMILES notation for 4-(2,4-dimethylphenyl)-3-methylbenzoic acid?
The canonical SMILES for 4-(2,4-dimethylphenyl)-3-methylbenzoic acid is Cc1ccc(-c2ccc(C(=O)O)cc2C)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylphenyl)-3-methylbenzoic acid?
The InChIKey is SEGDEFXWAZDLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-10-4-6-14(11(2)8-10)15-7-5-13(16(17)18)9-12(15)3/h4-9H,1-3H3,(H,17,18).
What are the key properties of 4-(2,4-dimethylphenyl)-3-methylbenzoic acid?
4-(2,4-dimethylphenyl)-3-methylbenzoic acid has a molecular weight of 240.30 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenyl)-3-methylbenzoic acid is sourced from PubChem (CID 53225261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).