3-(4-chloro-2-methylphenyl)-2-(2-methoxyphenoxy)propanoic acid

C17H17ClO4 — CID 133230900

IUPAC3-(4-chloro-2-methylphenyl)-2-(2-methoxyphenoxy)propanoic acid
SMILESCOc1ccccc1OC(Cc1ccc(Cl)cc1C)C(=O)O
InChIInChI=1S/C17H17ClO4/c1-11-9-13(18)8-7-12(11)10-16(17(19)20)22-15-6-4-3-5-14(15)21-2/h3-9,16H,10H2,1-2H3,(H,19,20)
InChIKeyKKMWCBVGNHDSJB-UHFFFAOYSA-N
MW320.77 g/mol
LogP3.73
Rot. Bonds6

About 3-(4-chloro-2-methylphenyl)-2-(2-methoxyphenoxy)propanoic acid

3-(4-chloro-2-methylphenyl)-2-(2-methoxyphenoxy)propanoic acid (PubChem CID 133230900) has the molecular formula C17H17ClO4 and a molecular weight of 320.77 g/mol. Its IUPAC name is 3-(4-chloro-2-methylphenyl)-2-(2-methoxyphenoxy)propanoic acid.

Molecular Properties

Compound Name3-(4-chloro-2-methylphenyl)-2-(2-methoxyphenoxy)propanoic acid
PubChem CID133230900
Molecular FormulaC17H17ClO4
Molecular Weight320.77 g/mol
Exact Mass320.08
IUPAC Name3-(4-chloro-2-methylphenyl)-2-(2-methoxyphenoxy)propanoic acid
SMILESCOc1ccccc1OC(Cc1ccc(Cl)cc1C)C(=O)O
InChIInChI=1S/C17H17ClO4/c1-11-9-13(18)8-7-12(11)10-16(17(19)20)22-15-6-4-3-5-14(15)21-2/h3-9,16H,10H2,1-2H3,(H,19,20)
InChIKeyKKMWCBVGNHDSJB-UHFFFAOYSA-N
XLogP3.73
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.77
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-2-methoxyphenyl)-2-(2-methoxyphenoxy)propanoic acid
CID 133241219
(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
(2R)-3-(5-chloro-2-phenoxyphenyl)-2-(2-methoxyphenoxy)propanoic acid
CID 100550251
(2R)-3-(4-chloro-2-methylphenyl)-2-(4-chlorophenoxy)propanoic acid
CID 100537024
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
2-(2-methoxyphenoxy)-3-(2-methoxyphenyl)propanoic acid
CID 133240977
(2R)-3-(4-chloro-2-methylphenyl)-2-(4-methylphenoxy)propanoic acid
CID 100536865
2-(2-methoxyphenoxy)-3-(2,4,6-trimethylphenyl)propanoic acid
CID 133241387
(2R)-3-(2,4-dimethylphenyl)-2-(2-methylphenoxy)propanoic acid
CID 100526538
3-(2,4-dimethoxyphenyl)-2-(2-methylphenoxy)propanoic acid
CID 133241119

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-methylphenyl)-2-(2-methoxyphenoxy)propanoic acid?
The IUPAC name of 3-(4-chloro-2-methylphenyl)-2-(2-methoxyphenoxy)propanoic acid (CID 133230900) is 3-(4-chloro-2-methylphenyl)-2-(2-methoxyphenoxy)propanoic acid.
What is the SMILES notation for 3-(4-chloro-2-methylphenyl)-2-(2-methoxyphenoxy)propanoic acid?
The canonical SMILES for 3-(4-chloro-2-methylphenyl)-2-(2-methoxyphenoxy)propanoic acid is COc1ccccc1OC(Cc1ccc(Cl)cc1C)C(=O)O.
What is the InChIKey of 3-(4-chloro-2-methylphenyl)-2-(2-methoxyphenoxy)propanoic acid?
The InChIKey is KKMWCBVGNHDSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO4/c1-11-9-13(18)8-7-12(11)10-16(17(19)20)22-15-6-4-3-5-14(15)21-2/h3-9,16H,10H2,1-2H3,(H,19,20).
What are the key properties of 3-(4-chloro-2-methylphenyl)-2-(2-methoxyphenoxy)propanoic acid?
3-(4-chloro-2-methylphenyl)-2-(2-methoxyphenoxy)propanoic acid has a molecular weight of 320.77 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-methylphenyl)-2-(2-methoxyphenoxy)propanoic acid is sourced from PubChem (CID 133230900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).