3-(2-chloro-4-methylphenyl)-2-(2-chlorophenyl)propanoic acid

C16H14Cl2O2 — CID 106865459

IUPAC3-(2-chloro-4-methylphenyl)-2-(2-chlorophenyl)propanoic acid
SMILESCc1ccc(CC(C(=O)O)c2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl2O2/c1-10-6-7-11(15(18)8-10)9-13(16(19)20)12-4-2-3-5-14(12)17/h2-8,13H,9H2,1H3,(H,19,20)
InChIKeyGLZTWVXNCCKMOO-UHFFFAOYSA-N
MW309.19 g/mol
LogP4.71
Rot. Bonds4

About 3-(2-chloro-4-methylphenyl)-2-(2-chlorophenyl)propanoic acid

3-(2-chloro-4-methylphenyl)-2-(2-chlorophenyl)propanoic acid (PubChem CID 106865459) has the molecular formula C16H14Cl2O2 and a molecular weight of 309.19 g/mol. Its IUPAC name is 3-(2-chloro-4-methylphenyl)-2-(2-chlorophenyl)propanoic acid.

Molecular Properties

Compound Name3-(2-chloro-4-methylphenyl)-2-(2-chlorophenyl)propanoic acid
PubChem CID106865459
Molecular FormulaC16H14Cl2O2
Molecular Weight309.19 g/mol
Exact Mass308.04
IUPAC Name3-(2-chloro-4-methylphenyl)-2-(2-chlorophenyl)propanoic acid
SMILESCc1ccc(CC(C(=O)O)c2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl2O2/c1-10-6-7-11(15(18)8-10)9-13(16(19)20)12-4-2-3-5-14(12)17/h2-8,13H,9H2,1H3,(H,19,20)
InChIKeyGLZTWVXNCCKMOO-UHFFFAOYSA-N
XLogP4.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(2-chloro-4-methylphenyl)-2-(2-chlorophenyl)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-(2-chlorophenyl)-3-(2,5-dimethylphenyl)propanoic acid
CID 79439737
2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)propanoic acid
CID 79439562
2-(2-chlorophenyl)-3-(2,6-dichlorophenyl)propanoic acid
CID 79439415
2-(2-chlorophenyl)-3-(2,3-dichlorophenyl)propanoic acid
CID 107307183
2-(2-chlorophenyl)-3-(3-chloro-4-pyridinyl)propanoic acid
CID 79439912
2-[(2-chloro-4-methylphenyl)methyl]-3-(2-methylphenyl)propanoic acid
CID 106865391
(2S)-2-amino-3-(2-chloro-4-methylphenyl)propanoic acid;hydrochloride
CID 155822679
3-(2,4-dichlorophenyl)-2-(4-methylphenyl)propanoic acid
CID 79436659
2-(2-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)propanoic acid
CID 79439265
2-(2-chlorophenyl)-3-(3-methylphenoxy)propanoic acid
CID 117244362
2-(2-chlorophenyl)-3-(3-methyl-2-pyridinyl)propanoic acid
CID 112650936
2-(2-chlorophenyl)-4-methylpentanoic acid
CID 79019167

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-methylphenyl)-2-(2-chlorophenyl)propanoic acid?
The IUPAC name of 3-(2-chloro-4-methylphenyl)-2-(2-chlorophenyl)propanoic acid (CID 106865459) is 3-(2-chloro-4-methylphenyl)-2-(2-chlorophenyl)propanoic acid.
What is the SMILES notation for 3-(2-chloro-4-methylphenyl)-2-(2-chlorophenyl)propanoic acid?
The canonical SMILES for 3-(2-chloro-4-methylphenyl)-2-(2-chlorophenyl)propanoic acid is Cc1ccc(CC(C(=O)O)c2ccccc2Cl)c(Cl)c1.
What is the InChIKey of 3-(2-chloro-4-methylphenyl)-2-(2-chlorophenyl)propanoic acid?
The InChIKey is GLZTWVXNCCKMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O2/c1-10-6-7-11(15(18)8-10)9-13(16(19)20)12-4-2-3-5-14(12)17/h2-8,13H,9H2,1H3,(H,19,20).
What are the key properties of 3-(2-chloro-4-methylphenyl)-2-(2-chlorophenyl)propanoic acid?
3-(2-chloro-4-methylphenyl)-2-(2-chlorophenyl)propanoic acid has a molecular weight of 309.19 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-methylphenyl)-2-(2-chlorophenyl)propanoic acid is sourced from PubChem (CID 106865459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).