3-(3,5-dimethylphenyl)-2-methylbenzoic acid

C16H16O2 — CID 53225284

IUPAC3-(3,5-dimethylphenyl)-2-methylbenzoic acid
SMILESCc1cc(C)cc(-c2cccc(C(=O)O)c2C)c1
InChIInChI=1S/C16H16O2/c1-10-7-11(2)9-13(8-10)14-5-4-6-15(12(14)3)16(17)18/h4-9H,1-3H3,(H,17,18)
InChIKeyMOHYENBSUVGRBZ-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.98
Rot. Bonds2

About 3-(3,5-dimethylphenyl)-2-methylbenzoic acid

3-(3,5-dimethylphenyl)-2-methylbenzoic acid (PubChem CID 53225284) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-2-methylbenzoic acid.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)-2-methylbenzoic acid
PubChem CID53225284
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name3-(3,5-dimethylphenyl)-2-methylbenzoic acid
SMILESCc1cc(C)cc(-c2cccc(C(=O)O)c2C)c1
InChIInChI=1S/C16H16O2/c1-10-7-11(2)9-13(8-10)14-5-4-6-15(12(14)3)16(17)18/h4-9H,1-3H3,(H,17,18)
InChIKeyMOHYENBSUVGRBZ-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

Analyze 3-(3,5-dimethylphenyl)-2-methylbenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-carboxy-2-methylphenyl)-2-methylbenzoic acid
CID 22140374
3-(3-hydroxyphenyl)-2-methylbenzoic acid
CID 53224960
2-methyl-3-[3-(trifluoromethyl)phenyl]benzoic acid
CID 53227606
3-[2-(3-carboxy-2-methylphenyl)-4-methylphenyl]-2-methylbenzoic acid
CID 157377441
3-(3-cyclopropyloxyphenyl)-2-methylbenzoic acid
CID 114522408
carbonic acid;2-methylbenzene-1,3-dicarboxylic acid
CID 174390462
2-methyl-3-(4-methylthiophen-2-yl)benzoic acid
CID 53445619
2-methyl-3-(2,4,5-trifluorophenyl)benzoic acid
CID 115503084
3-(3-ethoxyphenyl)-2-methylbenzoic acid
CID 53226301
3-(3-methoxycarbonyl-2-methylphenyl)-2-methylbenzoic acid
CID 175198121
3-(4-chloro-3-cyanophenyl)-2-methylbenzoic acid
CID 53227174
3-(4-ethoxycarbonylphenyl)-2-methylbenzoic acid
CID 53227860

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)-2-methylbenzoic acid?
The IUPAC name of 3-(3,5-dimethylphenyl)-2-methylbenzoic acid (CID 53225284) is 3-(3,5-dimethylphenyl)-2-methylbenzoic acid.
What is the SMILES notation for 3-(3,5-dimethylphenyl)-2-methylbenzoic acid?
The canonical SMILES for 3-(3,5-dimethylphenyl)-2-methylbenzoic acid is Cc1cc(C)cc(-c2cccc(C(=O)O)c2C)c1.
What is the InChIKey of 3-(3,5-dimethylphenyl)-2-methylbenzoic acid?
The InChIKey is MOHYENBSUVGRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-10-7-11(2)9-13(8-10)14-5-4-6-15(12(14)3)16(17)18/h4-9H,1-3H3,(H,17,18).
What are the key properties of 3-(3,5-dimethylphenyl)-2-methylbenzoic acid?
3-(3,5-dimethylphenyl)-2-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 3-(3,5-dimethylphenyl)-2-methylbenzoic acid is sourced from PubChem (CID 53225284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).