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

C15H13BrO2 — CID 114032341

IUPAC5-bromo-2-(2,4-dimethylphenyl)benzoic acid
SMILESCc1ccc(-c2ccc(Br)cc2C(=O)O)c(C)c1
InChIInChI=1S/C15H13BrO2/c1-9-3-5-12(10(2)7-9)13-6-4-11(16)8-14(13)15(17)18/h3-8H,1-2H3,(H,17,18)
InChIKeyMXEUTILJTPHMPB-UHFFFAOYSA-N
MW305.17 g/mol
LogP4.43
Rot. Bonds2

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

5-bromo-2-(2,4-dimethylphenyl)benzoic acid (PubChem CID 114032341) has the molecular formula C15H13BrO2 and a molecular weight of 305.17 g/mol. Its IUPAC name is 5-bromo-2-(2,4-dimethylphenyl)benzoic acid.

Molecular Properties

Compound Name5-bromo-2-(2,4-dimethylphenyl)benzoic acid
PubChem CID114032341
Molecular FormulaC15H13BrO2
Molecular Weight305.17 g/mol
Exact Mass304.01
IUPAC Name5-bromo-2-(2,4-dimethylphenyl)benzoic acid
SMILESCc1ccc(-c2ccc(Br)cc2C(=O)O)c(C)c1
InChIInChI=1S/C15H13BrO2/c1-9-3-5-12(10(2)7-9)13-6-4-11(16)8-14(13)15(17)18/h3-8H,1-2H3,(H,17,18)
InChIKeyMXEUTILJTPHMPB-UHFFFAOYSA-N
XLogP4.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-2-(2,3-dimethylphenyl)benzoic acid
CID 114032340
2-(2-bromophenyl)-5-methylbenzoic acid
CID 115503534
4-(2,4-dimethylphenyl)-3-methylbenzoic acid
CID 53225261
5-bromo-2-(4-bromophenyl)benzoic acid;hydrochloride
CID 138584228
5-bromo-2-[2-(2,4-dimethylphenoxy)acetyl]oxybenzoic acid
CID 54854465
3,4,5-tris(2,4-dimethylphenyl)phthalic acid
CID 54385207
5-(2,5-dimethylphenyl)-2,4-dimethylbenzoic acid
CID 107515552
6-bromo-2-(2,4-dimethylphenyl)quinoline-4-carboxylate
CID 4747845
2-(2,4-dibromophenyl)benzoic acid
CID 175057498
1-(4-bromophenyl)-2,4-dimethylbenzene
CID 83659015
2-(4-bromo-2-methylphenyl)-4-methylpyrimidine-5-carboxylic acid
CID 103083703
2-bromo-4-methylbenzoic acid;ethane
CID 143170535

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,4-dimethylphenyl)benzoic acid?
The IUPAC name of 5-bromo-2-(2,4-dimethylphenyl)benzoic acid (CID 114032341) is 5-bromo-2-(2,4-dimethylphenyl)benzoic acid.
What is the SMILES notation for 5-bromo-2-(2,4-dimethylphenyl)benzoic acid?
The canonical SMILES for 5-bromo-2-(2,4-dimethylphenyl)benzoic acid is Cc1ccc(-c2ccc(Br)cc2C(=O)O)c(C)c1.
What is the InChIKey of 5-bromo-2-(2,4-dimethylphenyl)benzoic acid?
The InChIKey is MXEUTILJTPHMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO2/c1-9-3-5-12(10(2)7-9)13-6-4-11(16)8-14(13)15(17)18/h3-8H,1-2H3,(H,17,18).
What are the key properties of 5-bromo-2-(2,4-dimethylphenyl)benzoic acid?
5-bromo-2-(2,4-dimethylphenyl)benzoic acid has a molecular weight of 305.17 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,4-dimethylphenyl)benzoic acid is sourced from PubChem (CID 114032341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).