(2R)-3-(3,5-dichlorophenyl)-2-(3,5-dimethylphenoxy)propanoic acid

C17H16Cl2O3 — CID 100540705

IUPAC(2R)-3-(3,5-dichlorophenyl)-2-(3,5-dimethylphenoxy)propanoic acid
SMILESCc1cc(C)cc(O[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)O)c1
InChIInChI=1S/C17H16Cl2O3/c1-10-3-11(2)5-15(4-10)22-16(17(20)21)8-12-6-13(18)9-14(19)7-12/h3-7,9,16H,8H2,1-2H3,(H,20,21)/t16-/m1/s1
InChIKeyCSGAOLSXOFAMMR-MRXNPFEDSA-N
MW339.22 g/mol
LogP4.68
Rot. Bonds5

About (2R)-3-(3,5-dichlorophenyl)-2-(3,5-dimethylphenoxy)propanoic acid

(2R)-3-(3,5-dichlorophenyl)-2-(3,5-dimethylphenoxy)propanoic acid (PubChem CID 100540705) has the molecular formula C17H16Cl2O3 and a molecular weight of 339.22 g/mol. Its IUPAC name is (2R)-3-(3,5-dichlorophenyl)-2-(3,5-dimethylphenoxy)propanoic acid.

Molecular Properties

Compound Name(2R)-3-(3,5-dichlorophenyl)-2-(3,5-dimethylphenoxy)propanoic acid
PubChem CID100540705
Molecular FormulaC17H16Cl2O3
Molecular Weight339.22 g/mol
Exact Mass338.05
IUPAC Name(2R)-3-(3,5-dichlorophenyl)-2-(3,5-dimethylphenoxy)propanoic acid
SMILESCc1cc(C)cc(O[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)O)c1
InChIInChI=1S/C17H16Cl2O3/c1-10-3-11(2)5-15(4-10)22-16(17(20)21)8-12-6-13(18)9-14(19)7-12/h3-7,9,16H,8H2,1-2H3,(H,20,21)/t16-/m1/s1
InChIKeyCSGAOLSXOFAMMR-MRXNPFEDSA-N
XLogP4.68
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 ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-3-(3,5-dichlorophenyl)-2-(3,5-dimethylphenoxy)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

(2R)-3-(3,5-dichlorophenyl)-2-(3-methylphenoxy)propanoic acid
CID 100540560
(2S)-2-(3,5-dimethylphenoxy)-3-(4-propan-2-ylphenyl)propanoic acid
CID 100530945
2-(4-chloro-3-methylphenoxy)-3-(3,5-dimethylphenyl)propanoic acid
CID 133245203
2-(4-tert-butylphenoxy)-3-(3,5-dichlorophenyl)propanoic acid
CID 133245667
(2R)-2-(3,5-dimethylphenoxy)butanoic acid
CID 7016341
(2R)-2-(3,5-dimethylphenoxy)-3-(3-methoxyphenyl)propanoic acid
CID 100542546
(2R)-3-(4-butylphenyl)-2-(3,5-dimethylphenoxy)propanoic acid
CID 100548952
3-(2,3-dichlorophenyl)-2-(3,5-dimethylphenoxy)propanoic acid
CID 133245581
3-(5-chloro-2-phenoxyphenyl)-2-(3,5-dimethylphenoxy)propanoic acid
CID 133241357
(2R)-3-(5-chloro-2-phenoxyphenyl)-2-(3,5-dimethylphenoxy)propanoic acid
CID 100550176
2-(3,5-dichlorophenoxy)-3-methoxypropanoic acid
CID 69114724
3-(3-chloro-4-methylphenyl)-2-(3-methylphenoxy)propanoic acid
CID 133245536

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(3,5-dichlorophenyl)-2-(3,5-dimethylphenoxy)propanoic acid?
The IUPAC name of (2R)-3-(3,5-dichlorophenyl)-2-(3,5-dimethylphenoxy)propanoic acid (CID 100540705) is (2R)-3-(3,5-dichlorophenyl)-2-(3,5-dimethylphenoxy)propanoic acid.
What is the SMILES notation for (2R)-3-(3,5-dichlorophenyl)-2-(3,5-dimethylphenoxy)propanoic acid?
The canonical SMILES for (2R)-3-(3,5-dichlorophenyl)-2-(3,5-dimethylphenoxy)propanoic acid is Cc1cc(C)cc(O[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)O)c1.
What is the InChIKey of (2R)-3-(3,5-dichlorophenyl)-2-(3,5-dimethylphenoxy)propanoic acid?
The InChIKey is CSGAOLSXOFAMMR-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H16Cl2O3/c1-10-3-11(2)5-15(4-10)22-16(17(20)21)8-12-6-13(18)9-14(19)7-12/h3-7,9,16H,8H2,1-2H3,(H,20,21)/t16-/m1/s1.
What are the key properties of (2R)-3-(3,5-dichlorophenyl)-2-(3,5-dimethylphenoxy)propanoic acid?
(2R)-3-(3,5-dichlorophenyl)-2-(3,5-dimethylphenoxy)propanoic acid has a molecular weight of 339.22 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(3,5-dichlorophenyl)-2-(3,5-dimethylphenoxy)propanoic acid is sourced from PubChem (CID 100540705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).