3-[4-[(3-thiophen-2-ylphenyl)methoxy]phenyl]propanoic acid

C20H18O3S — CID 23159951

IUPAC3-[4-[(3-thiophen-2-ylphenyl)methoxy]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(OCc2cccc(-c3cccs3)c2)cc1
InChIInChI=1S/C20H18O3S/c21-20(22)11-8-15-6-9-18(10-7-15)23-14-16-3-1-4-17(13-16)19-5-2-12-24-19/h1-7,9-10,12-13H,8,11,14H2,(H,21,22)
InChIKeySHFHKOOKUXCPPE-UHFFFAOYSA-N
MW338.43 g/mol
LogP5.01
Rot. Bonds7

About 3-[4-[(3-thiophen-2-ylphenyl)methoxy]phenyl]propanoic acid

3-[4-[(3-thiophen-2-ylphenyl)methoxy]phenyl]propanoic acid (PubChem CID 23159951) has the molecular formula C20H18O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is 3-[4-[(3-thiophen-2-ylphenyl)methoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(3-thiophen-2-ylphenyl)methoxy]phenyl]propanoic acid
PubChem CID23159951
Molecular FormulaC20H18O3S
Molecular Weight338.43 g/mol
Exact Mass338.10
IUPAC Name3-[4-[(3-thiophen-2-ylphenyl)methoxy]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(OCc2cccc(-c3cccs3)c2)cc1
InChIInChI=1S/C20H18O3S/c21-20(22)11-8-15-6-9-18(10-7-15)23-14-16-3-1-4-17(13-16)19-5-2-12-24-19/h1-7,9-10,12-13H,8,11,14H2,(H,21,22)
InChIKeySHFHKOOKUXCPPE-UHFFFAOYSA-N
XLogP5.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.43
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[4-[(3-thiophen-2-ylphenyl)methoxy]phenyl]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-[(1S)-5-{3-[4-(thiophen-3-yl)phenoxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 16110436
3-(4-(5-(3-Cyano-4-isopropoxyphenyl)thiophen-2-yl)-3-methylphenyl)propanoic acid
CID 11632823
2-(4-Methoxy-3-Thiophen-2-Yl-Phenyl)ethanoic Acid
CID 118703104
2-(4-Methoxy-3-Thiophen-3-Yl-Phenyl)ethanoic Acid
CID 118703105
3-(4-Butoxyphenyl)-3-(thiophen-2-yl)propanoic acid
CID 16737695
(S)-3-Phenyl-2-(4-thiophen-2-yl-phenoxy)-propionic acid
CID 11438721
5-{3-[3-tert-Butyl-5-ethyl-2-(3-fluoro-propoxy)-phenyl]-thiophen-2-yl}-3-methyl-penta-2,4-dienoic acid
CID 9932436
3-{2-[5-(2-Benzyloxy-phenyl)-thiophen-2-yl]-phenyl}-propionic acid
CID 10112486
3-{2-[5-(2-Benzyloxy-phenyl)-thiophen-3-yl]-phenyl}-propionic acid
CID 10158725
(2R)-2-[4-[4-(2-benzylthiophen-3-yl)phenyl]phenoxy]-3-phenylpropanoic acid
CID 10553086
3-{2-[4-(2-Benzyloxy-phenyl)-thiophen-2-yl]-phenyl}-propionic acid
CID 21362879
3-{2-[5-(2-Benzyloxy-phenyl)-thiophen-3-yl]-phenyl}-2-methyl-propionic acid
CID 21362905

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-thiophen-2-ylphenyl)methoxy]phenyl]propanoic acid?
The IUPAC name of 3-[4-[(3-thiophen-2-ylphenyl)methoxy]phenyl]propanoic acid (CID 23159951) is 3-[4-[(3-thiophen-2-ylphenyl)methoxy]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[(3-thiophen-2-ylphenyl)methoxy]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[(3-thiophen-2-ylphenyl)methoxy]phenyl]propanoic acid is O=C(O)CCc1ccc(OCc2cccc(-c3cccs3)c2)cc1.
What is the InChIKey of 3-[4-[(3-thiophen-2-ylphenyl)methoxy]phenyl]propanoic acid?
The InChIKey is SHFHKOOKUXCPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O3S/c21-20(22)11-8-15-6-9-18(10-7-15)23-14-16-3-1-4-17(13-16)19-5-2-12-24-19/h1-7,9-10,12-13H,8,11,14H2,(H,21,22).
What are the key properties of 3-[4-[(3-thiophen-2-ylphenyl)methoxy]phenyl]propanoic acid?
3-[4-[(3-thiophen-2-ylphenyl)methoxy]phenyl]propanoic acid has a molecular weight of 338.43 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-thiophen-2-ylphenyl)methoxy]phenyl]propanoic acid is sourced from PubChem (CID 23159951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).