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

C17H16Cl2O3 — CID 133245588

IUPAC3-(2,3-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanoic acid
SMILESCc1ccc(OC(Cc2cccc(Cl)c2Cl)C(=O)O)cc1C
InChIInChI=1S/C17H16Cl2O3/c1-10-6-7-13(8-11(10)2)22-15(17(20)21)9-12-4-3-5-14(18)16(12)19/h3-8,15H,9H2,1-2H3,(H,20,21)
InChIKeyKAWRVKHLHRMEJX-UHFFFAOYSA-N
MW339.22 g/mol
LogP4.68
Rot. Bonds5

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

3-(2,3-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanoic acid (PubChem CID 133245588) has the molecular formula C17H16Cl2O3 and a molecular weight of 339.22 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanoic acid.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanoic acid
PubChem CID133245588
Molecular FormulaC17H16Cl2O3
Molecular Weight339.22 g/mol
Exact Mass338.05
IUPAC Name3-(2,3-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanoic acid
SMILESCc1ccc(OC(Cc2cccc(Cl)c2Cl)C(=O)O)cc1C
InChIInChI=1S/C17H16Cl2O3/c1-10-6-7-13(8-11(10)2)22-15(17(20)21)9-12-4-3-5-14(18)16(12)19/h3-8,15H,9H2,1-2H3,(H,20,21)
InChIKeyKAWRVKHLHRMEJX-UHFFFAOYSA-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

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Related Compounds

3-(2,3-dichlorophenyl)-2-(3,5-dimethylphenoxy)propanoic acid
CID 133245581
2-(3,4-dimethylphenoxy)-3-naphthalen-1-ylpropanoic acid
CID 133150211
(2R)-2-(3,4-dimethylphenoxy)-3-naphthalen-1-ylpropanoic acid
CID 100531748
3-(2,3-dichlorophenyl)-2-(2-methylphenoxy)propanoic acid
CID 133245576
(2S)-2-(3,4-dimethylphenoxy)-3-(2,6-dimethylphenyl)propanoic acid
CID 100528037
(2R)-3-(3-chloro-2-methylphenyl)-2-(4-methylphenoxy)propanoic acid
CID 100536256
(2R)-2-(3,4-dimethylphenoxy)-3-(2-phenylsulfanylphenyl)propanoic acid
CID 100549730
(2S)-2-(3,4-dimethylphenoxy)-3-(3,4-dimethylphenyl)propanoic acid
CID 100528641
(2S)-3-(5-chloro-2-phenoxyphenyl)-2-(3,4-dimethylphenoxy)propanoic acid
CID 100550322
(2R)-3-(5-chloro-2-methylphenyl)-2-(3-methylphenoxy)propanoic acid
CID 100537567
2-(3-chlorophenoxy)-3-(2,5-dimethylphenyl)propanoic acid
CID 133150429
3-(3-chloro-2-methylphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 133245475

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanoic acid?
The IUPAC name of 3-(2,3-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanoic acid (CID 133245588) is 3-(2,3-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanoic acid.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanoic acid?
The canonical SMILES for 3-(2,3-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanoic acid is Cc1ccc(OC(Cc2cccc(Cl)c2Cl)C(=O)O)cc1C.
What is the InChIKey of 3-(2,3-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanoic acid?
The InChIKey is KAWRVKHLHRMEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2O3/c1-10-6-7-13(8-11(10)2)22-15(17(20)21)9-12-4-3-5-14(18)16(12)19/h3-8,15H,9H2,1-2H3,(H,20,21).
What are the key properties of 3-(2,3-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanoic acid?
3-(2,3-dichlorophenyl)-2-(3,4-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 3-(2,3-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanoic acid is sourced from PubChem (CID 133245588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).