3-[4-(4-chlorophenoxy)phenyl]-2-thiophen-2-ylpropanoic acid

C19H15ClO3S — CID 20988831

IUPAC3-[4-(4-chlorophenoxy)phenyl]-2-thiophen-2-ylpropanoic acid
SMILESO=C(O)C(Cc1ccc(Oc2ccc(Cl)cc2)cc1)c1cccs1
InChIInChI=1S/C19H15ClO3S/c20-14-5-9-16(10-6-14)23-15-7-3-13(4-8-15)12-17(19(21)22)18-2-1-11-24-18/h1-11,17H,12H2,(H,21,22)
InChIKeyAAZJIDJYMBCPTJ-UHFFFAOYSA-N
MW358.85 g/mol
LogP5.60
Rot. Bonds6

About 3-[4-(4-chlorophenoxy)phenyl]-2-thiophen-2-ylpropanoic acid

3-[4-(4-chlorophenoxy)phenyl]-2-thiophen-2-ylpropanoic acid (PubChem CID 20988831) has the molecular formula C19H15ClO3S and a molecular weight of 358.85 g/mol. Its IUPAC name is 3-[4-(4-chlorophenoxy)phenyl]-2-thiophen-2-ylpropanoic acid.

Molecular Properties

Compound Name3-[4-(4-chlorophenoxy)phenyl]-2-thiophen-2-ylpropanoic acid
PubChem CID20988831
Molecular FormulaC19H15ClO3S
Molecular Weight358.85 g/mol
Exact Mass358.04
IUPAC Name3-[4-(4-chlorophenoxy)phenyl]-2-thiophen-2-ylpropanoic acid
SMILESO=C(O)C(Cc1ccc(Oc2ccc(Cl)cc2)cc1)c1cccs1
InChIInChI=1S/C19H15ClO3S/c20-14-5-9-16(10-6-14)23-15-7-3-13(4-8-15)12-17(19(21)22)18-2-1-11-24-18/h1-11,17H,12H2,(H,21,22)
InChIKeyAAZJIDJYMBCPTJ-UHFFFAOYSA-N
XLogP5.60
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.85
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[4-(4-chlorophenoxy)phenyl]-2-thiophen-2-ylpropanoic 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

3-[4-(2-tert-butylphenoxy)phenyl]-2-thiophen-2-ylpropanoic acid
CID 20993287
3-(4-pentoxyphenyl)-2-thiophen-2-ylpropanoic acid
CID 22685131
3-(3-hydroxy-4-methoxyphenyl)-2-thiophen-2-ylpropanoic acid
CID 22681173
3-(3-chloro-4-propan-2-yloxyphenyl)-2-thiophen-2-ylpropanoic acid
CID 83953051
3-[4-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]-2-thiophen-2-ylpropanoic acid
CID 20990776
1-(4-methoxyphenyl)-2-thiophen-2-ylpentan-3-one
CID 142647578
3-(3-phenylmethoxyphenyl)-2-thiophen-2-ylpropanoic acid
CID 83952104
3-[3-(2-phenoxyethoxy)phenyl]-2-thiophen-2-ylpropanoic acid
CID 22687888
(2S)-2-(4-chlorophenyl)-3-thiophen-2-ylpropanoic acid
CID 42051111
3-(2,3-dichlorophenyl)-2-thiophen-2-ylpropanoic acid
CID 83954863
2-(4-chlorophenyl)sulfanyl-3-(4-phenoxyphenyl)propanoic acid
CID 133241111
2-(4-chlorophenyl)-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 82160569

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenoxy)phenyl]-2-thiophen-2-ylpropanoic acid?
The IUPAC name of 3-[4-(4-chlorophenoxy)phenyl]-2-thiophen-2-ylpropanoic acid (CID 20988831) is 3-[4-(4-chlorophenoxy)phenyl]-2-thiophen-2-ylpropanoic acid.
What is the SMILES notation for 3-[4-(4-chlorophenoxy)phenyl]-2-thiophen-2-ylpropanoic acid?
The canonical SMILES for 3-[4-(4-chlorophenoxy)phenyl]-2-thiophen-2-ylpropanoic acid is O=C(O)C(Cc1ccc(Oc2ccc(Cl)cc2)cc1)c1cccs1.
What is the InChIKey of 3-[4-(4-chlorophenoxy)phenyl]-2-thiophen-2-ylpropanoic acid?
The InChIKey is AAZJIDJYMBCPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClO3S/c20-14-5-9-16(10-6-14)23-15-7-3-13(4-8-15)12-17(19(21)22)18-2-1-11-24-18/h1-11,17H,12H2,(H,21,22).
What are the key properties of 3-[4-(4-chlorophenoxy)phenyl]-2-thiophen-2-ylpropanoic acid?
3-[4-(4-chlorophenoxy)phenyl]-2-thiophen-2-ylpropanoic acid has a molecular weight of 358.85 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenoxy)phenyl]-2-thiophen-2-ylpropanoic acid is sourced from PubChem (CID 20988831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).