4-[(2,4-dimethylphenyl)methyl]benzoic acid

C16H16O2 — CID 116927178

IUPAC4-[(2,4-dimethylphenyl)methyl]benzoic acid
SMILESCc1ccc(Cc2ccc(C(=O)O)cc2)c(C)c1
InChIInChI=1S/C16H16O2/c1-11-3-6-15(12(2)9-11)10-13-4-7-14(8-5-13)16(17)18/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyBWUAXJMDCJFMCF-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.59
Rot. Bonds3

About 4-[(2,4-dimethylphenyl)methyl]benzoic acid

4-[(2,4-dimethylphenyl)methyl]benzoic acid (PubChem CID 116927178) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 4-[(2,4-dimethylphenyl)methyl]benzoic acid.

Molecular Properties

Compound Name4-[(2,4-dimethylphenyl)methyl]benzoic acid
PubChem CID116927178
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name4-[(2,4-dimethylphenyl)methyl]benzoic acid
SMILESCc1ccc(Cc2ccc(C(=O)O)cc2)c(C)c1
InChIInChI=1S/C16H16O2/c1-11-3-6-15(12(2)9-11)10-13-4-7-14(8-5-13)16(17)18/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyBWUAXJMDCJFMCF-UHFFFAOYSA-N
XLogP3.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-[(2,4-dimethylphenyl)methyl]benzoic 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

4-[(2,5-dimethylphenyl)methyl]benzoic acid
CID 116927171
4-[(2,4-dimethylphenyl)methoxy]benzoic acid
CID 131881242
5-methyl-2-[(4-methylphenyl)methyl]benzoic acid
CID 15740404
4-[(4-carboxyphenyl)methyl]-2,6-dimethylbenzoic acid
CID 19980713
3-[(4-ethylphenyl)methyl]-4-methylbenzoic acid
CID 174439216
4-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]benzoic acid
CID 61481680
4,6-bis[(4-methylphenyl)methyl]benzene-1,3-dicarboxylic acid
CID 22269445
2-[(4-carboxyphenyl)methyl]terephthalic acid
CID 14323682
3-benzyl-4-methylbenzoic acid
CID 22349488
3-methyl-4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]benzoic acid
CID 114485374
4-[2-carboxy-2-(2,4-dimethylphenyl)ethyl]benzoic acid
CID 83955770
2,4-dimethyl-1-[[4-(4-methylphenoxy)phenyl]methyl]benzene
CID 134556504

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dimethylphenyl)methyl]benzoic acid?
The IUPAC name of 4-[(2,4-dimethylphenyl)methyl]benzoic acid (CID 116927178) is 4-[(2,4-dimethylphenyl)methyl]benzoic acid.
What is the SMILES notation for 4-[(2,4-dimethylphenyl)methyl]benzoic acid?
The canonical SMILES for 4-[(2,4-dimethylphenyl)methyl]benzoic acid is Cc1ccc(Cc2ccc(C(=O)O)cc2)c(C)c1.
What is the InChIKey of 4-[(2,4-dimethylphenyl)methyl]benzoic acid?
The InChIKey is BWUAXJMDCJFMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-11-3-6-15(12(2)9-11)10-13-4-7-14(8-5-13)16(17)18/h3-9H,10H2,1-2H3,(H,17,18).
What are the key properties of 4-[(2,4-dimethylphenyl)methyl]benzoic acid?
4-[(2,4-dimethylphenyl)methyl]benzoic acid has a molecular weight of 240.30 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethylphenyl)methyl]benzoic acid is sourced from PubChem (CID 116927178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).