2-(4-bromo-1-benzofuran-3-yl)propanoic acid

C11H9BrO3 — CID 117119174

IUPAC2-(4-bromo-1-benzofuran-3-yl)propanoic acid
SMILESCC(C(=O)O)c1coc2cccc(Br)c12
InChIInChI=1S/C11H9BrO3/c1-6(11(13)14)7-5-15-9-4-2-3-8(12)10(7)9/h2-6H,1H3,(H,13,14)
InChIKeyGFIFGAZWPIOEFM-UHFFFAOYSA-N
MW269.09 g/mol
LogP3.38
Rot. Bonds2

About 2-(4-bromo-1-benzofuran-3-yl)propanoic acid

2-(4-bromo-1-benzofuran-3-yl)propanoic acid (PubChem CID 117119174) has the molecular formula C11H9BrO3 and a molecular weight of 269.09 g/mol. Its IUPAC name is 2-(4-bromo-1-benzofuran-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(4-bromo-1-benzofuran-3-yl)propanoic acid
PubChem CID117119174
Molecular FormulaC11H9BrO3
Molecular Weight269.09 g/mol
Exact Mass267.97
IUPAC Name2-(4-bromo-1-benzofuran-3-yl)propanoic acid
SMILESCC(C(=O)O)c1coc2cccc(Br)c12
InChIInChI=1S/C11H9BrO3/c1-6(11(13)14)7-5-15-9-4-2-3-8(12)10(7)9/h2-6H,1H3,(H,13,14)
InChIKeyGFIFGAZWPIOEFM-UHFFFAOYSA-N
XLogP3.38
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.09
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-benzofuran-3-yl)propanoic acid?
The IUPAC name of 2-(4-bromo-1-benzofuran-3-yl)propanoic acid (CID 117119174) is 2-(4-bromo-1-benzofuran-3-yl)propanoic acid.
What is the SMILES notation for 2-(4-bromo-1-benzofuran-3-yl)propanoic acid?
The canonical SMILES for 2-(4-bromo-1-benzofuran-3-yl)propanoic acid is CC(C(=O)O)c1coc2cccc(Br)c12.
What is the InChIKey of 2-(4-bromo-1-benzofuran-3-yl)propanoic acid?
The InChIKey is GFIFGAZWPIOEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrO3/c1-6(11(13)14)7-5-15-9-4-2-3-8(12)10(7)9/h2-6H,1H3,(H,13,14).
What are the key properties of 2-(4-bromo-1-benzofuran-3-yl)propanoic acid?
2-(4-bromo-1-benzofuran-3-yl)propanoic acid has a molecular weight of 269.09 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1-benzofuran-3-yl)propanoic acid is sourced from PubChem (CID 117119174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).