2-[3-(4-fluorophenyl)-1-benzofuran-6-yl]acetic acid

C16H11FO3 — CID 21447390

IUPAC2-[3-(4-fluorophenyl)-1-benzofuran-6-yl]acetic acid
SMILESO=C(O)Cc1ccc2c(-c3ccc(F)cc3)coc2c1
InChIInChI=1S/C16H11FO3/c17-12-4-2-11(3-5-12)14-9-20-15-7-10(8-16(18)19)1-6-13(14)15/h1-7,9H,8H2,(H,18,19)
InChIKeyWSTBBJLTJWMMDT-UHFFFAOYSA-N
MW270.26 g/mol
LogP3.87
Rot. Bonds3

About 2-[3-(4-fluorophenyl)-1-benzofuran-6-yl]acetic acid

2-[3-(4-fluorophenyl)-1-benzofuran-6-yl]acetic acid (PubChem CID 21447390) has the molecular formula C16H11FO3 and a molecular weight of 270.26 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-1-benzofuran-6-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-1-benzofuran-6-yl]acetic acid
PubChem CID21447390
Molecular FormulaC16H11FO3
Molecular Weight270.26 g/mol
Exact Mass270.07
IUPAC Name2-[3-(4-fluorophenyl)-1-benzofuran-6-yl]acetic acid
SMILESO=C(O)Cc1ccc2c(-c3ccc(F)cc3)coc2c1
InChIInChI=1S/C16H11FO3/c17-12-4-2-11(3-5-12)14-9-20-15-7-10(8-16(18)19)1-6-13(14)15/h1-7,9H,8H2,(H,18,19)
InChIKeyWSTBBJLTJWMMDT-UHFFFAOYSA-N
XLogP3.87
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-1-benzofuran-6-yl]acetic acid?
The IUPAC name of 2-[3-(4-fluorophenyl)-1-benzofuran-6-yl]acetic acid (CID 21447390) is 2-[3-(4-fluorophenyl)-1-benzofuran-6-yl]acetic acid.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-1-benzofuran-6-yl]acetic acid?
The canonical SMILES for 2-[3-(4-fluorophenyl)-1-benzofuran-6-yl]acetic acid is O=C(O)Cc1ccc2c(-c3ccc(F)cc3)coc2c1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-1-benzofuran-6-yl]acetic acid?
The InChIKey is WSTBBJLTJWMMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FO3/c17-12-4-2-11(3-5-12)14-9-20-15-7-10(8-16(18)19)1-6-13(14)15/h1-7,9H,8H2,(H,18,19).
What are the key properties of 2-[3-(4-fluorophenyl)-1-benzofuran-6-yl]acetic acid?
2-[3-(4-fluorophenyl)-1-benzofuran-6-yl]acetic acid has a molecular weight of 270.26 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-1-benzofuran-6-yl]acetic acid is sourced from PubChem (CID 21447390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).