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

C17H16Cl2O3 — CID 83955360

IUPAC3-(3,4-dichlorophenyl)-2-(4-methoxy-3-methylphenyl)propanoic acid
SMILESCOc1ccc(C(Cc2ccc(Cl)c(Cl)c2)C(=O)O)cc1C
InChIInChI=1S/C17H16Cl2O3/c1-10-7-12(4-6-16(10)22-2)13(17(20)21)8-11-3-5-14(18)15(19)9-11/h3-7,9,13H,8H2,1-2H3,(H,20,21)
InChIKeyZGLJRJGOTGKOQV-UHFFFAOYSA-N
MW339.22 g/mol
LogP4.72
Rot. Bonds5

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

3-(3,4-dichlorophenyl)-2-(4-methoxy-3-methylphenyl)propanoic acid (PubChem CID 83955360) has the molecular formula C17H16Cl2O3 and a molecular weight of 339.22 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-2-(4-methoxy-3-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-2-(4-methoxy-3-methylphenyl)propanoic acid
PubChem CID83955360
Molecular FormulaC17H16Cl2O3
Molecular Weight339.22 g/mol
Exact Mass338.05
IUPAC Name3-(3,4-dichlorophenyl)-2-(4-methoxy-3-methylphenyl)propanoic acid
SMILESCOc1ccc(C(Cc2ccc(Cl)c(Cl)c2)C(=O)O)cc1C
InChIInChI=1S/C17H16Cl2O3/c1-10-7-12(4-6-16(10)22-2)13(17(20)21)8-11-3-5-14(18)15(19)9-11/h3-7,9,13H,8H2,1-2H3,(H,20,21)
InChIKeyZGLJRJGOTGKOQV-UHFFFAOYSA-N
XLogP4.72
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-bis(3,4-dichlorophenyl)propanoic acid
CID 131874584
4-[2-carboxy-2-(4-methoxy-3-methylphenyl)ethyl]benzoic acid
CID 83955750
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-(3-chloro-4-methoxyphenyl)-3-(4-chlorophenyl)propanoic acid
CID 82139353
2-(4-methoxy-3-methylphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid
CID 83952179
2-(4-methoxy-3-methylphenyl)-3-(4-pyrrolidin-1-ylphenyl)propanoic acid
CID 83953350
3-amino-2-(4-methoxy-3-methylphenyl)propanoic acid
CID 22339839
3-(3-chlorophenyl)-2-(4-ethoxy-3-methylphenyl)propanoic acid
CID 83955946
2-[(3-chloro-4-methoxyphenyl)methyl]propanedioic acid
CID 82121039
3-(3-bromo-4-methoxyphenyl)-2-(4-methylphenyl)propanoic acid
CID 79432064
1,2-dichloro-4-[2-chloro-2-(3-chloro-4-methoxyphenyl)ethyl]benzene
CID 63431003

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-2-(4-methoxy-3-methylphenyl)propanoic acid?
The IUPAC name of 3-(3,4-dichlorophenyl)-2-(4-methoxy-3-methylphenyl)propanoic acid (CID 83955360) is 3-(3,4-dichlorophenyl)-2-(4-methoxy-3-methylphenyl)propanoic acid.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-2-(4-methoxy-3-methylphenyl)propanoic acid?
The canonical SMILES for 3-(3,4-dichlorophenyl)-2-(4-methoxy-3-methylphenyl)propanoic acid is COc1ccc(C(Cc2ccc(Cl)c(Cl)c2)C(=O)O)cc1C.
What is the InChIKey of 3-(3,4-dichlorophenyl)-2-(4-methoxy-3-methylphenyl)propanoic acid?
The InChIKey is ZGLJRJGOTGKOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2O3/c1-10-7-12(4-6-16(10)22-2)13(17(20)21)8-11-3-5-14(18)15(19)9-11/h3-7,9,13H,8H2,1-2H3,(H,20,21).
What are the key properties of 3-(3,4-dichlorophenyl)-2-(4-methoxy-3-methylphenyl)propanoic acid?
3-(3,4-dichlorophenyl)-2-(4-methoxy-3-methylphenyl)propanoic acid has a molecular weight of 339.22 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-2-(4-methoxy-3-methylphenyl)propanoic acid is sourced from PubChem (CID 83955360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).