(2S)-2-(4-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid

C17H17ClO4 — CID 100544211

IUPAC(2S)-2-(4-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid
SMILESCCOc1ccc(C[C@H](Oc2ccc(Cl)cc2)C(=O)O)cc1
InChIInChI=1S/C17H17ClO4/c1-2-21-14-7-3-12(4-8-14)11-16(17(19)20)22-15-9-5-13(18)6-10-15/h3-10,16H,2,11H2,1H3,(H,19,20)/t16-/m0/s1
InChIKeyYOLBEZVSOPMOLF-INIZCTEOSA-N
MW320.77 g/mol
LogP3.81
Rot. Bonds7

About (2S)-2-(4-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid

(2S)-2-(4-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid (PubChem CID 100544211) has the molecular formula C17H17ClO4 and a molecular weight of 320.77 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid
PubChem CID100544211
Molecular FormulaC17H17ClO4
Molecular Weight320.77 g/mol
Exact Mass320.08
IUPAC Name(2S)-2-(4-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid
SMILESCCOc1ccc(C[C@H](Oc2ccc(Cl)cc2)C(=O)O)cc1
InChIInChI=1S/C17H17ClO4/c1-2-21-14-7-3-12(4-8-14)11-16(17(19)20)22-15-9-5-13(18)6-10-15/h3-10,16H,2,11H2,1H3,(H,19,20)/t16-/m0/s1
InChIKeyYOLBEZVSOPMOLF-INIZCTEOSA-N
XLogP3.81
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.77
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(4-chlorophenoxy)-3-(4-ethoxyphenyl)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

2-(4-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid
CID 133241069
(2R)-3-(4-ethoxyphenyl)-2-phenoxypropanoic acid
CID 100544078
2-(3-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid
CID 133241068
2-(4-chlorophenoxy)-3-(4-propylphenyl)propanoic acid
CID 44589957
(2R)-2-(4-tert-butylphenoxy)-3-(4-ethoxyphenyl)propanoic acid
CID 100544242
2-(4-chlorophenoxy)-3-(4-hydroxyphenyl)propanoic acid
CID 91594906
2-(4-chlorophenoxy)-3-(4-fluorophenyl)propanoic acid
CID 57400967
(2S)-2-(4-chlorophenoxy)-3-(4-iodophenyl)propanoic acid
CID 100535737
(2R)-3-(4-chlorophenyl)-2-(4-phenylphenoxy)propanoic acid
CID 100534298
3-(4-chlorophenyl)-2-ethoxypropanoic acid
CID 84726078
ethyl 2-(4-chlorophenoxy)-3-(4-phenylmethoxyphenyl)propanoate
CID 18625711
ethyl (2S)-3-(4-chlorophenyl)-2-(4-propan-2-ylphenoxy)propanoate
CID 125467568

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid?
The IUPAC name of (2S)-2-(4-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid (CID 100544211) is (2S)-2-(4-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid.
What is the SMILES notation for (2S)-2-(4-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid?
The canonical SMILES for (2S)-2-(4-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid is CCOc1ccc(C[C@H](Oc2ccc(Cl)cc2)C(=O)O)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid?
The InChIKey is YOLBEZVSOPMOLF-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17ClO4/c1-2-21-14-7-3-12(4-8-14)11-16(17(19)20)22-15-9-5-13(18)6-10-15/h3-10,16H,2,11H2,1H3,(H,19,20)/t16-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid?
(2S)-2-(4-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid has a molecular weight of 320.77 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid is sourced from PubChem (CID 100544211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).