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

C16H14Cl2O3 — CID 82139353

IUPAC2-(3-chloro-4-methoxyphenyl)-3-(4-chlorophenyl)propanoic acid
SMILESCOc1ccc(C(Cc2ccc(Cl)cc2)C(=O)O)cc1Cl
InChIInChI=1S/C16H14Cl2O3/c1-21-15-7-4-11(9-14(15)18)13(16(19)20)8-10-2-5-12(17)6-3-10/h2-7,9,13H,8H2,1H3,(H,19,20)
InChIKeyRTXJGHSYYRABIY-UHFFFAOYSA-N
MW325.19 g/mol
LogP4.41
Rot. Bonds5

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

2-(3-chloro-4-methoxyphenyl)-3-(4-chlorophenyl)propanoic acid (PubChem CID 82139353) has the molecular formula C16H14Cl2O3 and a molecular weight of 325.19 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-3-(4-chlorophenyl)propanoic acid.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-3-(4-chlorophenyl)propanoic acid
PubChem CID82139353
Molecular FormulaC16H14Cl2O3
Molecular Weight325.19 g/mol
Exact Mass324.03
IUPAC Name2-(3-chloro-4-methoxyphenyl)-3-(4-chlorophenyl)propanoic acid
SMILESCOc1ccc(C(Cc2ccc(Cl)cc2)C(=O)O)cc1Cl
InChIInChI=1S/C16H14Cl2O3/c1-21-15-7-4-11(9-14(15)18)13(16(19)20)8-10-2-5-12(17)6-3-10/h2-7,9,13H,8H2,1H3,(H,19,20)
InChIKeyRTXJGHSYYRABIY-UHFFFAOYSA-N
XLogP4.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-chloro-4-methoxyphenyl)-3-(4-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

3-(3,4-dichlorophenyl)-2-(4-methoxy-3-methylphenyl)propanoic acid
CID 83955360
2-[(3-chloro-4-methoxyphenyl)methyl]propanedioic acid
CID 82121039
4-[2-carboxy-2-(4-methoxy-3-methylphenyl)ethyl]benzoic acid
CID 83955750
2,3-bis(3,4-dichlorophenyl)propanoic acid
CID 131874584
3-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenyl)propanoic acid
CID 82141717
(2S)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)propanoic acid
CID 42051145
3-(4-tert-butylphenyl)-2-(5-chloro-2-methoxyphenyl)propanoic acid
CID 112721022
2-(4-chlorophenyl)-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 82160569
2-(3,4-dimethylphenyl)-3-(3-hydroxy-4-methoxyphenyl)propanoic acid
CID 82160556
2-(4-methoxy-3-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 83951802
2-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)propanoic acid
CID 131887523
2-(5-chloro-2-methoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)propanoic acid
CID 83950557

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-3-(4-chlorophenyl)propanoic acid?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-3-(4-chlorophenyl)propanoic acid (CID 82139353) is 2-(3-chloro-4-methoxyphenyl)-3-(4-chlorophenyl)propanoic acid.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-3-(4-chlorophenyl)propanoic acid?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-3-(4-chlorophenyl)propanoic acid is COc1ccc(C(Cc2ccc(Cl)cc2)C(=O)O)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-3-(4-chlorophenyl)propanoic acid?
The InChIKey is RTXJGHSYYRABIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O3/c1-21-15-7-4-11(9-14(15)18)13(16(19)20)8-10-2-5-12(17)6-3-10/h2-7,9,13H,8H2,1H3,(H,19,20).
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-3-(4-chlorophenyl)propanoic acid?
2-(3-chloro-4-methoxyphenyl)-3-(4-chlorophenyl)propanoic acid has a molecular weight of 325.19 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)-3-(4-chlorophenyl)propanoic acid is sourced from PubChem (CID 82139353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).