3-(2,4-dichlorophenyl)-2-(4-methylphenyl)propanoic acid

C16H14Cl2O2 — CID 79436659

IUPAC3-(2,4-dichlorophenyl)-2-(4-methylphenyl)propanoic acid
SMILESCc1ccc(C(Cc2ccc(Cl)cc2Cl)C(=O)O)cc1
InChIInChI=1S/C16H14Cl2O2/c1-10-2-4-11(5-3-10)14(16(19)20)8-12-6-7-13(17)9-15(12)18/h2-7,9,14H,8H2,1H3,(H,19,20)
InChIKeyJLJOSSJBRSHDHJ-UHFFFAOYSA-N
MW309.19 g/mol
LogP4.71
Rot. Bonds4

About 3-(2,4-dichlorophenyl)-2-(4-methylphenyl)propanoic acid

3-(2,4-dichlorophenyl)-2-(4-methylphenyl)propanoic acid (PubChem CID 79436659) has the molecular formula C16H14Cl2O2 and a molecular weight of 309.19 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-2-(4-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-2-(4-methylphenyl)propanoic acid
PubChem CID79436659
Molecular FormulaC16H14Cl2O2
Molecular Weight309.19 g/mol
Exact Mass308.04
IUPAC Name3-(2,4-dichlorophenyl)-2-(4-methylphenyl)propanoic acid
SMILESCc1ccc(C(Cc2ccc(Cl)cc2Cl)C(=O)O)cc1
InChIInChI=1S/C16H14Cl2O2/c1-10-2-4-11(5-3-10)14(16(19)20)8-12-6-7-13(17)9-15(12)18/h2-7,9,14H,8H2,1H3,(H,19,20)
InChIKeyJLJOSSJBRSHDHJ-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-(2,4-dichlorophenyl)-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-(3-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propanoic acid
CID 83954730
3-(5-chloro-2-propoxyphenyl)-2-(4-methylphenyl)propanoic acid
CID 83953981
3-(2,5-dimethylphenyl)-2-(4-methylphenyl)propanoic acid
CID 79435899
2-(4-chlorophenyl)-3-(4,6-dichloro-3-pyridinyl)propanoic acid
CID 116519749
3-(2-chloro-4-methylphenyl)-2-(2-chlorophenyl)propanoic acid
CID 106865459
3-(4-chloro-2-fluorophenyl)-2-(4-methoxyphenyl)propanoic acid
CID 84752972
4-(2,4-dichlorophenyl)-2,3-dimethylbutanoic acid
CID 81008936
1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 106867255
(2S)-3-(2,4-dichlorophenyl)-2-methoxypropanoic acid
CID 99924303
3-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenyl)propanoic acid
CID 82141717
(2S)-3-chloro-2-(4-methylphenyl)propanoic acid
CID 54042500
2-chloro-3-(2,4-dichlorophenyl)propanoyl chloride
CID 21488826

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-2-(4-methylphenyl)propanoic acid?
The IUPAC name of 3-(2,4-dichlorophenyl)-2-(4-methylphenyl)propanoic acid (CID 79436659) is 3-(2,4-dichlorophenyl)-2-(4-methylphenyl)propanoic acid.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-2-(4-methylphenyl)propanoic acid?
The canonical SMILES for 3-(2,4-dichlorophenyl)-2-(4-methylphenyl)propanoic acid is Cc1ccc(C(Cc2ccc(Cl)cc2Cl)C(=O)O)cc1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-2-(4-methylphenyl)propanoic acid?
The InChIKey is JLJOSSJBRSHDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O2/c1-10-2-4-11(5-3-10)14(16(19)20)8-12-6-7-13(17)9-15(12)18/h2-7,9,14H,8H2,1H3,(H,19,20).
What are the key properties of 3-(2,4-dichlorophenyl)-2-(4-methylphenyl)propanoic acid?
3-(2,4-dichlorophenyl)-2-(4-methylphenyl)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-(2,4-dichlorophenyl)-2-(4-methylphenyl)propanoic acid is sourced from PubChem (CID 79436659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).