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

C16H14Cl2O4 — CID 133241239

IUPAC3-(3-chloro-4-methoxyphenyl)-2-(2-chlorophenoxy)propanoic acid
SMILESCOc1ccc(CC(Oc2ccccc2Cl)C(=O)O)cc1Cl
InChIInChI=1S/C16H14Cl2O4/c1-21-13-7-6-10(8-12(13)18)9-15(16(19)20)22-14-5-3-2-4-11(14)17/h2-8,15H,9H2,1H3,(H,19,20)
InChIKeyJYLRGCVFMWCPSB-UHFFFAOYSA-N
MW341.19 g/mol
LogP4.08
Rot. Bonds6

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

3-(3-chloro-4-methoxyphenyl)-2-(2-chlorophenoxy)propanoic acid (PubChem CID 133241239) has the molecular formula C16H14Cl2O4 and a molecular weight of 341.19 g/mol. Its IUPAC name is 3-(3-chloro-4-methoxyphenyl)-2-(2-chlorophenoxy)propanoic acid.

Molecular Properties

Compound Name3-(3-chloro-4-methoxyphenyl)-2-(2-chlorophenoxy)propanoic acid
PubChem CID133241239
Molecular FormulaC16H14Cl2O4
Molecular Weight341.19 g/mol
Exact Mass340.03
IUPAC Name3-(3-chloro-4-methoxyphenyl)-2-(2-chlorophenoxy)propanoic acid
SMILESCOc1ccc(CC(Oc2ccccc2Cl)C(=O)O)cc1Cl
InChIInChI=1S/C16H14Cl2O4/c1-21-13-7-6-10(8-12(13)18)9-15(16(19)20)22-14-5-3-2-4-11(14)17/h2-8,15H,9H2,1H3,(H,19,20)
InChIKeyJYLRGCVFMWCPSB-UHFFFAOYSA-N
XLogP4.08
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-yloxypropanoic acid
CID 133241251
(2S)-2-(2-chlorophenoxy)-3-(3,4-dichlorophenyl)propanoic acid
CID 100540005
(2S)-2-(4-tert-butylphenoxy)-3-(3-chloro-4-methoxyphenyl)propanoic acid
CID 100547766
3-(3-chloro-4-methoxyphenyl)-2-(3-methylphenoxy)propanoic acid
CID 133241237
(2S)-3-(3-chloro-4-methoxyphenyl)-2-(4-chloro-3-methylphenoxy)propanoic acid
CID 100547805
2-[(3-chloro-4-methoxyphenyl)methyl]propanedioic acid
CID 82121039
3-(4-bromophenyl)-2-(2-chlorophenoxy)propanoic acid
CID 133245431
3-(3-chloro-4-methylphenyl)-2-(2-methylphenoxy)propanoic acid
CID 133245535
(2S)-2-(2-chlorophenoxy)-3-(2,4-dimethoxyphenyl)propanoic acid
CID 100545306
(2S)-3-(4-ethylphenyl)-2-(2-methoxyphenoxy)propanoic acid
CID 100530459
(2S)-2-(2-chlorophenoxy)-3-(2,6-dimethylphenyl)propanoic acid
CID 100527792
3-(5-chloro-2-methoxyphenyl)-2-(2-methoxyphenoxy)propanoic acid
CID 133241219

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methoxyphenyl)-2-(2-chlorophenoxy)propanoic acid?
The IUPAC name of 3-(3-chloro-4-methoxyphenyl)-2-(2-chlorophenoxy)propanoic acid (CID 133241239) is 3-(3-chloro-4-methoxyphenyl)-2-(2-chlorophenoxy)propanoic acid.
What is the SMILES notation for 3-(3-chloro-4-methoxyphenyl)-2-(2-chlorophenoxy)propanoic acid?
The canonical SMILES for 3-(3-chloro-4-methoxyphenyl)-2-(2-chlorophenoxy)propanoic acid is COc1ccc(CC(Oc2ccccc2Cl)C(=O)O)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methoxyphenyl)-2-(2-chlorophenoxy)propanoic acid?
The InChIKey is JYLRGCVFMWCPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O4/c1-21-13-7-6-10(8-12(13)18)9-15(16(19)20)22-14-5-3-2-4-11(14)17/h2-8,15H,9H2,1H3,(H,19,20).
What are the key properties of 3-(3-chloro-4-methoxyphenyl)-2-(2-chlorophenoxy)propanoic acid?
3-(3-chloro-4-methoxyphenyl)-2-(2-chlorophenoxy)propanoic acid has a molecular weight of 341.19 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methoxyphenyl)-2-(2-chlorophenoxy)propanoic acid is sourced from PubChem (CID 133241239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).