3-(2,5-dimethylphenyl)-2-(4-methylphenyl)propanoic acid

C18H20O2 — CID 79435899

IUPAC3-(2,5-dimethylphenyl)-2-(4-methylphenyl)propanoic acid
SMILESCc1ccc(C(Cc2cc(C)ccc2C)C(=O)O)cc1
InChIInChI=1S/C18H20O2/c1-12-5-8-15(9-6-12)17(18(19)20)11-16-10-13(2)4-7-14(16)3/h4-10,17H,11H2,1-3H3,(H,19,20)
InChIKeyZITVHWBHDIISRA-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.02
Rot. Bonds4

About 3-(2,5-dimethylphenyl)-2-(4-methylphenyl)propanoic acid

3-(2,5-dimethylphenyl)-2-(4-methylphenyl)propanoic acid (PubChem CID 79435899) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-(2,5-dimethylphenyl)-2-(4-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(2,5-dimethylphenyl)-2-(4-methylphenyl)propanoic acid
PubChem CID79435899
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name3-(2,5-dimethylphenyl)-2-(4-methylphenyl)propanoic acid
SMILESCc1ccc(C(Cc2cc(C)ccc2C)C(=O)O)cc1
InChIInChI=1S/C18H20O2/c1-12-5-8-15(9-6-12)17(18(19)20)11-16-10-13(2)4-7-14(16)3/h4-10,17H,11H2,1-3H3,(H,19,20)
InChIKeyZITVHWBHDIISRA-UHFFFAOYSA-N
XLogP4.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(2,5-dimethylphenyl)-2-(4-methylphenyl)propanoic 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

2-[4-(dimethylamino)phenyl]-3-(2,5-dimethylphenyl)propanoic acid
CID 82141310
2-(2,5-dimethylphenyl)-1-(4-methylphenyl)ethanol
CID 61481687
3-(2,4-dichlorophenyl)-2-(4-methylphenyl)propanoic acid
CID 79436659
2-(2-chlorophenyl)-3-(2,5-dimethylphenyl)propanoic acid
CID 79439737
(2R)-3-(2,5-dimethylphenyl)-2-(4-methylphenyl)sulfanylpropanoic acid
CID 100527551
(2R)-3-(2,5-dimethylphenyl)-2-(4-methylphenoxy)propanoic acid
CID 100527186
2-(4-ethylphenyl)-3-(4-methylphenyl)propanoic acid
CID 82092601
3-[4-(hydroxymethyl)phenyl]-2-(4-methylphenyl)propanoic acid
CID 82160685
3-(5-fluoro-2-methylphenyl)-2-(3-fluorophenyl)propanoic acid
CID 105372523
(2S)-3-chloro-2-(4-methylphenyl)propanoic acid
CID 54042500
3-amino-4-(2,5-dimethylphenyl)butanoic acid
CID 82351078
(2R)-1-(2,5-dimethylphenyl)butan-2-ol
CID 94208295

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenyl)-2-(4-methylphenyl)propanoic acid?
The IUPAC name of 3-(2,5-dimethylphenyl)-2-(4-methylphenyl)propanoic acid (CID 79435899) is 3-(2,5-dimethylphenyl)-2-(4-methylphenyl)propanoic acid.
What is the SMILES notation for 3-(2,5-dimethylphenyl)-2-(4-methylphenyl)propanoic acid?
The canonical SMILES for 3-(2,5-dimethylphenyl)-2-(4-methylphenyl)propanoic acid is Cc1ccc(C(Cc2cc(C)ccc2C)C(=O)O)cc1.
What is the InChIKey of 3-(2,5-dimethylphenyl)-2-(4-methylphenyl)propanoic acid?
The InChIKey is ZITVHWBHDIISRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-12-5-8-15(9-6-12)17(18(19)20)11-16-10-13(2)4-7-14(16)3/h4-10,17H,11H2,1-3H3,(H,19,20).
What are the key properties of 3-(2,5-dimethylphenyl)-2-(4-methylphenyl)propanoic acid?
3-(2,5-dimethylphenyl)-2-(4-methylphenyl)propanoic acid has a molecular weight of 268.36 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenyl)-2-(4-methylphenyl)propanoic acid is sourced from PubChem (CID 79435899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).