(2R)-3-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenoxy)propanoic acid

C16H14Cl2O4 — CID 100547124

IUPAC(2R)-3-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenoxy)propanoic acid
SMILESCOc1ccc(Cl)cc1C[C@@H](Oc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C16H14Cl2O4/c1-21-14-7-4-12(18)8-10(14)9-15(16(19)20)22-13-5-2-11(17)3-6-13/h2-8,15H,9H2,1H3,(H,19,20)/t15-/m1/s1
InChIKeyYBOJPAHXKLCLPX-OAHLLOKOSA-N
MW341.19 g/mol
LogP4.08
Rot. Bonds6

About (2R)-3-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenoxy)propanoic acid

(2R)-3-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenoxy)propanoic acid (PubChem CID 100547124) has the molecular formula C16H14Cl2O4 and a molecular weight of 341.19 g/mol. Its IUPAC name is (2R)-3-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenoxy)propanoic acid.

Molecular Properties

Compound Name(2R)-3-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenoxy)propanoic acid
PubChem CID100547124
Molecular FormulaC16H14Cl2O4
Molecular Weight341.19 g/mol
Exact Mass340.03
IUPAC Name(2R)-3-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenoxy)propanoic acid
SMILESCOc1ccc(Cl)cc1C[C@@H](Oc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C16H14Cl2O4/c1-21-14-7-4-12(18)8-10(14)9-15(16(19)20)22-13-5-2-11(17)3-6-13/h2-8,15H,9H2,1H3,(H,19,20)/t15-/m1/s1
InChIKeyYBOJPAHXKLCLPX-OAHLLOKOSA-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

(2S)-3-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenoxy)propanoic acid
CID 100547133
2-(4-chlorophenoxy)-3-(2-methoxyphenyl)propanoic acid
CID 133240973
(2R)-2-(4-chlorophenoxy)-3-(2,4-dimethoxyphenyl)propanoic acid
CID 100545345
3-(5-chloro-2-methoxyphenyl)-2-(2-methoxyphenoxy)propanoic acid
CID 133241219
(2S)-3-(5-chloro-2-phenoxyphenyl)-2-(4-methoxyphenoxy)propanoic acid
CID 100550282
2-(4-chlorophenoxy)-3-(5-chloro-2-phenoxyphenyl)propanoic acid
CID 133241354
(2R)-3-(4-chloro-2-methylphenyl)-2-(4-chlorophenoxy)propanoic acid
CID 100537024
(2R)-3-(5-chloro-2-phenoxyphenyl)-2-(2-methoxyphenoxy)propanoic acid
CID 100550251
(2R)-2-(4-chloro-3-methylphenoxy)-3-(2,5-dimethoxyphenyl)propanoic acid
CID 100546009
(2S)-3-(5-chloro-2-phenoxyphenyl)-2-(3,4-dimethylphenoxy)propanoic acid
CID 100550322
(2S)-2-(4-tert-butylphenoxy)-3-(2,5-dimethoxyphenyl)propanoic acid
CID 100545980
(2R)-3-(5-chloro-2-phenoxyphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 100550207

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenoxy)propanoic acid?
The IUPAC name of (2R)-3-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenoxy)propanoic acid (CID 100547124) is (2R)-3-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenoxy)propanoic acid.
What is the SMILES notation for (2R)-3-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenoxy)propanoic acid?
The canonical SMILES for (2R)-3-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenoxy)propanoic acid is COc1ccc(Cl)cc1C[C@@H](Oc1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of (2R)-3-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenoxy)propanoic acid?
The InChIKey is YBOJPAHXKLCLPX-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H14Cl2O4/c1-21-14-7-4-12(18)8-10(14)9-15(16(19)20)22-13-5-2-11(17)3-6-13/h2-8,15H,9H2,1H3,(H,19,20)/t15-/m1/s1.
What are the key properties of (2R)-3-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenoxy)propanoic acid?
(2R)-3-(5-chloro-2-methoxyphenyl)-2-(4-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 (2R)-3-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenoxy)propanoic acid is sourced from PubChem (CID 100547124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).