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

C17H17ClO4 — CID 133241068

IUPAC2-(3-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid
SMILESCCOc1ccc(CC(Oc2cccc(Cl)c2)C(=O)O)cc1
InChIInChI=1S/C17H17ClO4/c1-2-21-14-8-6-12(7-9-14)10-16(17(19)20)22-15-5-3-4-13(18)11-15/h3-9,11,16H,2,10H2,1H3,(H,19,20)
InChIKeyZFINGOCERJEBMB-UHFFFAOYSA-N
MW320.77 g/mol
LogP3.81
Rot. Bonds7

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

2-(3-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid (PubChem CID 133241068) has the molecular formula C17H17ClO4 and a molecular weight of 320.77 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid
PubChem CID133241068
Molecular FormulaC17H17ClO4
Molecular Weight320.77 g/mol
Exact Mass320.08
IUPAC Name2-(3-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid
SMILESCCOc1ccc(CC(Oc2cccc(Cl)c2)C(=O)O)cc1
InChIInChI=1S/C17H17ClO4/c1-2-21-14-8-6-12(7-9-14)10-16(17(19)20)22-15-5-3-4-13(18)11-15/h3-9,11,16H,2,10H2,1H3,(H,19,20)
InChIKeyZFINGOCERJEBMB-UHFFFAOYSA-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

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Related Compounds

(2S)-2-(4-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid
CID 100544211
2-(4-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid
CID 133241069
(2R)-3-(4-ethoxyphenyl)-2-phenoxypropanoic acid
CID 100544078
(2R)-2-(3-chlorophenoxy)-3-(4-phenoxyphenyl)propanoic acid
CID 100544750
(2R)-2-(3-chlorophenoxy)-3-phenylpropanoic acid
CID 100524120
(2R)-2-(3-chlorophenoxy)-3-(4-iodophenyl)propanoic acid
CID 100535710
(2S)-2-(3-chlorophenoxy)-3-(3,4-dimethylphenyl)propanoic acid
CID 100528397
(2R)-2-(3-chlorophenoxy)-3-(2-ethylphenyl)propanoic acid
CID 100529696
(2R)-2-(4-tert-butylphenoxy)-3-(4-ethoxyphenyl)propanoic acid
CID 100544242
(2S)-3-(3-chlorophenyl)-2-(4-methoxyphenoxy)propanoic acid
CID 100533934
2-(4-chlorophenoxy)-3-(4-propylphenyl)propanoic acid
CID 44589957
(2R)-2-(3-chlorophenoxy)-3-(2,3-dimethylphenyl)propanoic acid
CID 100525996

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid?
The IUPAC name of 2-(3-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid (CID 133241068) is 2-(3-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid.
What is the SMILES notation for 2-(3-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid?
The canonical SMILES for 2-(3-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid is CCOc1ccc(CC(Oc2cccc(Cl)c2)C(=O)O)cc1.
What is the InChIKey of 2-(3-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid?
The InChIKey is ZFINGOCERJEBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO4/c1-2-21-14-8-6-12(7-9-14)10-16(17(19)20)22-15-5-3-4-13(18)11-15/h3-9,11,16H,2,10H2,1H3,(H,19,20).
What are the key properties of 2-(3-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid?
2-(3-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 2-(3-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid is sourced from PubChem (CID 133241068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).