3-(2,3-dichlorophenyl)-2-(2-methylphenoxy)propanoic acid

C16H14Cl2O3 — CID 133245576

IUPAC3-(2,3-dichlorophenyl)-2-(2-methylphenoxy)propanoic acid
SMILESCc1ccccc1OC(Cc1cccc(Cl)c1Cl)C(=O)O
InChIInChI=1S/C16H14Cl2O3/c1-10-5-2-3-8-13(10)21-14(16(19)20)9-11-6-4-7-12(17)15(11)18/h2-8,14H,9H2,1H3,(H,19,20)
InChIKeyRFJDFWUBYPUTSS-UHFFFAOYSA-N
MW325.19 g/mol
LogP4.38
Rot. Bonds5

About 3-(2,3-dichlorophenyl)-2-(2-methylphenoxy)propanoic acid

3-(2,3-dichlorophenyl)-2-(2-methylphenoxy)propanoic acid (PubChem CID 133245576) has the molecular formula C16H14Cl2O3 and a molecular weight of 325.19 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-2-(2-methylphenoxy)propanoic acid.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-2-(2-methylphenoxy)propanoic acid
PubChem CID133245576
Molecular FormulaC16H14Cl2O3
Molecular Weight325.19 g/mol
Exact Mass324.03
IUPAC Name3-(2,3-dichlorophenyl)-2-(2-methylphenoxy)propanoic acid
SMILESCc1ccccc1OC(Cc1cccc(Cl)c1Cl)C(=O)O
InChIInChI=1S/C16H14Cl2O3/c1-10-5-2-3-8-13(10)21-14(16(19)20)9-11-6-4-7-12(17)15(11)18/h2-8,14H,9H2,1H3,(H,19,20)
InChIKeyRFJDFWUBYPUTSS-UHFFFAOYSA-N
XLogP4.38
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 ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chlorophenyl)-2-(2-methylphenoxy)propanoic acid
CID 133245331
(2S)-3-(2-chlorophenyl)-2-(2-methylphenoxy)propanoic acid
CID 100533098
(2S)-3-(2-ethylphenyl)-2-(2-methylphenoxy)propanoic acid
CID 100529624
3-(2,3-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanoic acid
CID 133245588
(2R)-3-(2-fluorophenyl)-2-(2-methylphenoxy)propanoic acid
CID 100531990
(2S)-2-(2-chlorophenoxy)-3-(2,6-dimethylphenyl)propanoic acid
CID 100527792
3-(2,3-dichlorophenyl)-2-(3,5-dimethylphenoxy)propanoic acid
CID 133245581
3-(3-chloro-4-methylphenyl)-2-(2-methylphenoxy)propanoic acid
CID 133245535
(2S)-3-(3-chloro-2-methylphenyl)-2-(2-propan-2-ylphenoxy)propanoic acid
CID 100536437
(2R)-3-(2,4-dimethylphenyl)-2-(2-methylphenoxy)propanoic acid
CID 100526538
(2R)-2-(2-methylphenoxy)-3-(4-methylphenyl)propanoic acid
CID 100525412
3-(2,4-dimethoxyphenyl)-2-(2-methylphenoxy)propanoic acid
CID 133241119

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-2-(2-methylphenoxy)propanoic acid?
The IUPAC name of 3-(2,3-dichlorophenyl)-2-(2-methylphenoxy)propanoic acid (CID 133245576) is 3-(2,3-dichlorophenyl)-2-(2-methylphenoxy)propanoic acid.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-2-(2-methylphenoxy)propanoic acid?
The canonical SMILES for 3-(2,3-dichlorophenyl)-2-(2-methylphenoxy)propanoic acid is Cc1ccccc1OC(Cc1cccc(Cl)c1Cl)C(=O)O.
What is the InChIKey of 3-(2,3-dichlorophenyl)-2-(2-methylphenoxy)propanoic acid?
The InChIKey is RFJDFWUBYPUTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O3/c1-10-5-2-3-8-13(10)21-14(16(19)20)9-11-6-4-7-12(17)15(11)18/h2-8,14H,9H2,1H3,(H,19,20).
What are the key properties of 3-(2,3-dichlorophenyl)-2-(2-methylphenoxy)propanoic acid?
3-(2,3-dichlorophenyl)-2-(2-methylphenoxy)propanoic acid has a molecular weight of 325.19 g/mol, XLogP of 4.38, 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-(2-methylphenoxy)propanoic acid is sourced from PubChem (CID 133245576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).