2-(2-chlorophenyl)-3-(2,5-dimethylphenyl)propanoic acid

C17H17ClO2 — CID 79439737

IUPAC2-(2-chlorophenyl)-3-(2,5-dimethylphenyl)propanoic acid
SMILESCc1ccc(C)c(CC(C(=O)O)c2ccccc2Cl)c1
InChIInChI=1S/C17H17ClO2/c1-11-7-8-12(2)13(9-11)10-15(17(19)20)14-5-3-4-6-16(14)18/h3-9,15H,10H2,1-2H3,(H,19,20)
InChIKeyQUNUBFKVWFZMDX-UHFFFAOYSA-N
MW288.77 g/mol
LogP4.37
Rot. Bonds4

About 2-(2-chlorophenyl)-3-(2,5-dimethylphenyl)propanoic acid

2-(2-chlorophenyl)-3-(2,5-dimethylphenyl)propanoic acid (PubChem CID 79439737) has the molecular formula C17H17ClO2 and a molecular weight of 288.77 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-(2,5-dimethylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-(2,5-dimethylphenyl)propanoic acid
PubChem CID79439737
Molecular FormulaC17H17ClO2
Molecular Weight288.77 g/mol
Exact Mass288.09
IUPAC Name2-(2-chlorophenyl)-3-(2,5-dimethylphenyl)propanoic acid
SMILESCc1ccc(C)c(CC(C(=O)O)c2ccccc2Cl)c1
InChIInChI=1S/C17H17ClO2/c1-11-7-8-12(2)13(9-11)10-15(17(19)20)14-5-3-4-6-16(14)18/h3-9,15H,10H2,1-2H3,(H,19,20)
InChIKeyQUNUBFKVWFZMDX-UHFFFAOYSA-N
XLogP4.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2-chlorophenyl)-3-(2,5-dimethylphenyl)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

3-(2-chloro-4-methylphenyl)-2-(2-chlorophenyl)propanoic acid
CID 106865459
2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)propanoic acid
CID 79439562
2-(2-chlorophenyl)-3-(2,3-dichlorophenyl)propanoic acid
CID 107307183
2-(2-chlorophenyl)-3-(2,6-dichlorophenyl)propanoic acid
CID 79439415
3-(2,5-dimethylphenyl)-2-(4-methylphenyl)propanoic acid
CID 79435899
2-(2-chlorophenyl)-3-(3-methyl-2-pyridinyl)propanoic acid
CID 112650936
2-(2,5-dimethylphenyl)-3-(2-fluorophenyl)propanoic acid
CID 82139843
2-(2,5-dimethylphenyl)-3-phenylpropanoic acid
CID 82139245
2-(2-chlorophenyl)-3-(3-chloro-4-pyridinyl)propanoic acid
CID 79439912
2-(2-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)propanoic acid
CID 79439265
2-(2-chlorophenyl)-3-(3-methylphenoxy)propanoic acid
CID 117244362
3-(2-bromophenyl)-2-(2,4-dimethylphenyl)propanoic acid
CID 83952778

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-(2,5-dimethylphenyl)propanoic acid?
The IUPAC name of 2-(2-chlorophenyl)-3-(2,5-dimethylphenyl)propanoic acid (CID 79439737) is 2-(2-chlorophenyl)-3-(2,5-dimethylphenyl)propanoic acid.
What is the SMILES notation for 2-(2-chlorophenyl)-3-(2,5-dimethylphenyl)propanoic acid?
The canonical SMILES for 2-(2-chlorophenyl)-3-(2,5-dimethylphenyl)propanoic acid is Cc1ccc(C)c(CC(C(=O)O)c2ccccc2Cl)c1.
What is the InChIKey of 2-(2-chlorophenyl)-3-(2,5-dimethylphenyl)propanoic acid?
The InChIKey is QUNUBFKVWFZMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO2/c1-11-7-8-12(2)13(9-11)10-15(17(19)20)14-5-3-4-6-16(14)18/h3-9,15H,10H2,1-2H3,(H,19,20).
What are the key properties of 2-(2-chlorophenyl)-3-(2,5-dimethylphenyl)propanoic acid?
2-(2-chlorophenyl)-3-(2,5-dimethylphenyl)propanoic acid has a molecular weight of 288.77 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-(2,5-dimethylphenyl)propanoic acid is sourced from PubChem (CID 79439737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).