3-(5-chloro-2-methoxyphenyl)-2-(2-methoxyphenoxy)propanoic acid

C17H17ClO5 — CID 133241219

IUPAC3-(5-chloro-2-methoxyphenyl)-2-(2-methoxyphenoxy)propanoic acid
SMILESCOc1ccc(Cl)cc1CC(Oc1ccccc1OC)C(=O)O
InChIInChI=1S/C17H17ClO5/c1-21-13-8-7-12(18)9-11(13)10-16(17(19)20)23-15-6-4-3-5-14(15)22-2/h3-9,16H,10H2,1-2H3,(H,19,20)
InChIKeyYRPMBIWRPBSSIO-UHFFFAOYSA-N
MW336.77 g/mol
LogP3.43
Rot. Bonds7

About 3-(5-chloro-2-methoxyphenyl)-2-(2-methoxyphenoxy)propanoic acid

3-(5-chloro-2-methoxyphenyl)-2-(2-methoxyphenoxy)propanoic acid (PubChem CID 133241219) has the molecular formula C17H17ClO5 and a molecular weight of 336.77 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyphenyl)-2-(2-methoxyphenoxy)propanoic acid.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyphenyl)-2-(2-methoxyphenoxy)propanoic acid
PubChem CID133241219
Molecular FormulaC17H17ClO5
Molecular Weight336.77 g/mol
Exact Mass336.08
IUPAC Name3-(5-chloro-2-methoxyphenyl)-2-(2-methoxyphenoxy)propanoic acid
SMILESCOc1ccc(Cl)cc1CC(Oc1ccccc1OC)C(=O)O
InChIInChI=1S/C17H17ClO5/c1-21-13-8-7-12(18)9-11(13)10-16(17(19)20)23-15-6-4-3-5-14(15)22-2/h3-9,16H,10H2,1-2H3,(H,19,20)
InChIKeyYRPMBIWRPBSSIO-UHFFFAOYSA-N
XLogP3.43
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.77
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(5-chloro-2-methoxyphenyl)-2-(2-methoxyphenoxy)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-3-(5-chloro-2-phenoxyphenyl)-2-(2-methoxyphenoxy)propanoic acid
CID 100550251
3-(4-chloro-2-methylphenyl)-2-(2-methoxyphenoxy)propanoic acid
CID 133230900
(2R)-3-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenoxy)propanoic acid
CID 100547124
(2S)-3-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenoxy)propanoic acid
CID 100547133
2-(2-methoxyphenoxy)-3-(2-methoxyphenyl)propanoic acid
CID 133240977
2-(4-chlorophenoxy)-3-(2-methoxyphenyl)propanoic acid
CID 133240973
(2S)-3-(5-chloro-2-phenoxyphenyl)-2-(4-methoxyphenoxy)propanoic acid
CID 100550282
3-(5-chloro-2-methoxyphenyl)-2-methyl-1-phenylpropan-1-one
CID 104844961
(2R)-2-(2-methoxyphenoxy)-3-(2-phenoxyphenyl)propanoic acid
CID 100551442
(2S)-3-(5-chloro-2-phenoxyphenyl)-2-(3,4-dimethylphenoxy)propanoic acid
CID 100550322
(2R)-3-(5-chloro-2-methoxyphenyl)-2-phenylsulfanylpropanoic acid
CID 100547414
2-(4-chlorophenoxy)-3-(5-chloro-2-phenoxyphenyl)propanoic acid
CID 133241354

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyphenyl)-2-(2-methoxyphenoxy)propanoic acid?
The IUPAC name of 3-(5-chloro-2-methoxyphenyl)-2-(2-methoxyphenoxy)propanoic acid (CID 133241219) is 3-(5-chloro-2-methoxyphenyl)-2-(2-methoxyphenoxy)propanoic acid.
What is the SMILES notation for 3-(5-chloro-2-methoxyphenyl)-2-(2-methoxyphenoxy)propanoic acid?
The canonical SMILES for 3-(5-chloro-2-methoxyphenyl)-2-(2-methoxyphenoxy)propanoic acid is COc1ccc(Cl)cc1CC(Oc1ccccc1OC)C(=O)O.
What is the InChIKey of 3-(5-chloro-2-methoxyphenyl)-2-(2-methoxyphenoxy)propanoic acid?
The InChIKey is YRPMBIWRPBSSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO5/c1-21-13-8-7-12(18)9-11(13)10-16(17(19)20)23-15-6-4-3-5-14(15)22-2/h3-9,16H,10H2,1-2H3,(H,19,20).
What are the key properties of 3-(5-chloro-2-methoxyphenyl)-2-(2-methoxyphenoxy)propanoic acid?
3-(5-chloro-2-methoxyphenyl)-2-(2-methoxyphenoxy)propanoic acid has a molecular weight of 336.77 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyphenyl)-2-(2-methoxyphenoxy)propanoic acid is sourced from PubChem (CID 133241219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).