3-[5-[3-(trifluoromethoxy)phenyl]-1-benzofuran-2-yl]propanoic acid

C18H13F3O4 — CID 134143899

IUPAC3-[5-[3-(trifluoromethoxy)phenyl]-1-benzofuran-2-yl]propanoic acid
SMILESO=C(O)CCc1cc2cc(-c3cccc(OC(F)(F)F)c3)ccc2o1
InChIInChI=1S/C18H13F3O4/c19-18(20,21)25-15-3-1-2-11(9-15)12-4-6-16-13(8-12)10-14(24-16)5-7-17(22)23/h1-4,6,8-10H,5,7H2,(H,22,23)
InChIKeyWQMNEUGVOZUFMI-UHFFFAOYSA-N
MW350.29 g/mol
LogP5.02
Rot. Bonds5

About 3-[5-[3-(trifluoromethoxy)phenyl]-1-benzofuran-2-yl]propanoic acid

3-[5-[3-(trifluoromethoxy)phenyl]-1-benzofuran-2-yl]propanoic acid (PubChem CID 134143899) has the molecular formula C18H13F3O4 and a molecular weight of 350.29 g/mol. Its IUPAC name is 3-[5-[3-(trifluoromethoxy)phenyl]-1-benzofuran-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-[3-(trifluoromethoxy)phenyl]-1-benzofuran-2-yl]propanoic acid
PubChem CID134143899
Molecular FormulaC18H13F3O4
Molecular Weight350.29 g/mol
Exact Mass350.08
IUPAC Name3-[5-[3-(trifluoromethoxy)phenyl]-1-benzofuran-2-yl]propanoic acid
SMILESO=C(O)CCc1cc2cc(-c3cccc(OC(F)(F)F)c3)ccc2o1
InChIInChI=1S/C18H13F3O4/c19-18(20,21)25-15-3-1-2-11(9-15)12-4-6-16-13(8-12)10-14(24-16)5-7-17(22)23/h1-4,6,8-10H,5,7H2,(H,22,23)
InChIKeyWQMNEUGVOZUFMI-UHFFFAOYSA-N
XLogP5.02
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.29
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[5-[3-(trifluoromethoxy)phenyl]-1-benzofuran-2-yl]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

Frequently Asked Questions

What is the IUPAC name of 3-[5-[3-(trifluoromethoxy)phenyl]-1-benzofuran-2-yl]propanoic acid?
The IUPAC name of 3-[5-[3-(trifluoromethoxy)phenyl]-1-benzofuran-2-yl]propanoic acid (CID 134143899) is 3-[5-[3-(trifluoromethoxy)phenyl]-1-benzofuran-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-[3-(trifluoromethoxy)phenyl]-1-benzofuran-2-yl]propanoic acid?
The canonical SMILES for 3-[5-[3-(trifluoromethoxy)phenyl]-1-benzofuran-2-yl]propanoic acid is O=C(O)CCc1cc2cc(-c3cccc(OC(F)(F)F)c3)ccc2o1.
What is the InChIKey of 3-[5-[3-(trifluoromethoxy)phenyl]-1-benzofuran-2-yl]propanoic acid?
The InChIKey is WQMNEUGVOZUFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3O4/c19-18(20,21)25-15-3-1-2-11(9-15)12-4-6-16-13(8-12)10-14(24-16)5-7-17(22)23/h1-4,6,8-10H,5,7H2,(H,22,23).
What are the key properties of 3-[5-[3-(trifluoromethoxy)phenyl]-1-benzofuran-2-yl]propanoic acid?
3-[5-[3-(trifluoromethoxy)phenyl]-1-benzofuran-2-yl]propanoic acid has a molecular weight of 350.29 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[3-(trifluoromethoxy)phenyl]-1-benzofuran-2-yl]propanoic acid is sourced from PubChem (CID 134143899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).