(2R)-3-(4-chloro-2-methylphenyl)-2-(4-chlorophenoxy)propanoic acid

C16H14Cl2O3 — CID 100537024

IUPAC(2R)-3-(4-chloro-2-methylphenyl)-2-(4-chlorophenoxy)propanoic acid
SMILESCc1cc(Cl)ccc1C[C@@H](Oc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C16H14Cl2O3/c1-10-8-13(18)3-2-11(10)9-15(16(19)20)21-14-6-4-12(17)5-7-14/h2-8,15H,9H2,1H3,(H,19,20)/t15-/m1/s1
InChIKeyZZPQYWQDCJLQQA-OAHLLOKOSA-N
MW325.19 g/mol
LogP4.38
Rot. Bonds5

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

(2R)-3-(4-chloro-2-methylphenyl)-2-(4-chlorophenoxy)propanoic acid (PubChem CID 100537024) has the molecular formula C16H14Cl2O3 and a molecular weight of 325.19 g/mol. Its IUPAC name is (2R)-3-(4-chloro-2-methylphenyl)-2-(4-chlorophenoxy)propanoic acid.

Molecular Properties

Compound Name(2R)-3-(4-chloro-2-methylphenyl)-2-(4-chlorophenoxy)propanoic acid
PubChem CID100537024
Molecular FormulaC16H14Cl2O3
Molecular Weight325.19 g/mol
Exact Mass324.03
IUPAC Name(2R)-3-(4-chloro-2-methylphenyl)-2-(4-chlorophenoxy)propanoic acid
SMILESCc1cc(Cl)ccc1C[C@@H](Oc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C16H14Cl2O3/c1-10-8-13(18)3-2-11(10)9-15(16(19)20)21-14-6-4-12(17)5-7-14/h2-8,15H,9H2,1H3,(H,19,20)/t15-/m1/s1
InChIKeyZZPQYWQDCJLQQA-OAHLLOKOSA-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

(2R)-3-(4-chloro-2-methylphenyl)-2-(4-methylphenoxy)propanoic acid
CID 100536865
3-(4-chloro-2-methylphenyl)-2-naphthalen-2-yloxypropanoic acid
CID 133245510
(2S)-3-(4-chloro-2-methylphenyl)-2-naphthalen-2-yloxypropanoic acid
CID 100537301
(2S)-3-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenoxy)propanoic acid
CID 100547133
(2R)-3-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenoxy)propanoic acid
CID 100547124
(2S)-2-(4-chlorophenoxy)-3-(2,3-dimethylphenyl)propanoic acid
CID 100526025
3-(4-chloro-2-methylphenyl)-2-(2-methoxyphenoxy)propanoic acid
CID 133230900
2-(4-chloro-2-methylphenoxy)-4-(4-chlorophenoxy)pentanedioic acid
CID 90997814
(2R)-2-(4-chlorophenoxy)-3-(2,4-dimethoxyphenyl)propanoic acid
CID 100545345
3-(2,4-dichlorophenyl)-2-phenoxypropanoic acid
CID 133245608
(2R)-2-(2-tert-butylphenoxy)-3-(4-chloro-2-methylphenyl)propanoic acid
CID 100537046
2-(2-tert-butylphenoxy)-3-(4-chloro-2-methylphenyl)propanoic acid
CID 133230889

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-chloro-2-methylphenyl)-2-(4-chlorophenoxy)propanoic acid?
The IUPAC name of (2R)-3-(4-chloro-2-methylphenyl)-2-(4-chlorophenoxy)propanoic acid (CID 100537024) is (2R)-3-(4-chloro-2-methylphenyl)-2-(4-chlorophenoxy)propanoic acid.
What is the SMILES notation for (2R)-3-(4-chloro-2-methylphenyl)-2-(4-chlorophenoxy)propanoic acid?
The canonical SMILES for (2R)-3-(4-chloro-2-methylphenyl)-2-(4-chlorophenoxy)propanoic acid is Cc1cc(Cl)ccc1C[C@@H](Oc1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of (2R)-3-(4-chloro-2-methylphenyl)-2-(4-chlorophenoxy)propanoic acid?
The InChIKey is ZZPQYWQDCJLQQA-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H14Cl2O3/c1-10-8-13(18)3-2-11(10)9-15(16(19)20)21-14-6-4-12(17)5-7-14/h2-8,15H,9H2,1H3,(H,19,20)/t15-/m1/s1.
What are the key properties of (2R)-3-(4-chloro-2-methylphenyl)-2-(4-chlorophenoxy)propanoic acid?
(2R)-3-(4-chloro-2-methylphenyl)-2-(4-chlorophenoxy)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 (2R)-3-(4-chloro-2-methylphenyl)-2-(4-chlorophenoxy)propanoic acid is sourced from PubChem (CID 100537024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).