2-furo[2,3-f][1]benzofuran-4-ylpropanoic acid

C13H10O4 — CID 117332166

IUPAC2-furo[2,3-f][1]benzofuran-4-ylpropanoic acid
SMILESCC(C(=O)O)c1c2ccoc2cc2ccoc12
InChIInChI=1S/C13H10O4/c1-7(13(14)15)11-9-3-5-16-10(9)6-8-2-4-17-12(8)11/h2-7H,1H3,(H,14,15)
InChIKeyWJTYZGJEIOKXGF-UHFFFAOYSA-N
MW230.22 g/mol
LogP3.37
Rot. Bonds2

About 2-furo[2,3-f][1]benzofuran-4-ylpropanoic acid

2-furo[2,3-f][1]benzofuran-4-ylpropanoic acid (PubChem CID 117332166) has the molecular formula C13H10O4 and a molecular weight of 230.22 g/mol. Its IUPAC name is 2-furo[2,3-f][1]benzofuran-4-ylpropanoic acid.

Molecular Properties

Compound Name2-furo[2,3-f][1]benzofuran-4-ylpropanoic acid
PubChem CID117332166
Molecular FormulaC13H10O4
Molecular Weight230.22 g/mol
Exact Mass230.06
IUPAC Name2-furo[2,3-f][1]benzofuran-4-ylpropanoic acid
SMILESCC(C(=O)O)c1c2ccoc2cc2ccoc12
InChIInChI=1S/C13H10O4/c1-7(13(14)15)11-9-3-5-16-10(9)6-8-2-4-17-12(8)11/h2-7H,1H3,(H,14,15)
InChIKeyWJTYZGJEIOKXGF-UHFFFAOYSA-N
XLogP3.37
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-fluoro-1-benzofuran-4-yl)propanoic acid
CID 117297072
2-furo[2,3-f][1]benzofuran-4-ylacetic acid
CID 115010286
[(2S)-1-furo[2,3-f][1]benzofuran-4-ylpropan-2-yl]azanium chloride
CID 10586876
2-hydroxy-2-(4-methoxyfuro[2,3-f][1]benzofuran-8-yl)acetic acid
CID 117409627
2-[(5-methyl-1-benzofuran-7-yl)oxy]propanoic acid
CID 58806250
5-furo[2,3-f][1]benzofuran-4-ylpyrrolidine-3-carboxylic acid
CID 117430705
3-furo[2,3-f][1]benzofuran-4-ylpropanal
CID 115010222
1-(5-butan-2-yl-1-benzofuran-7-yl)propan-2-one
CID 22144910
4-(furan-2-yl)furo[2,3-f][1]benzofuran
CID 142381848
2-(2,7-dihydroxynaphthalen-1-yl)propanoic acid
CID 117335936
2-(4,6-difluoro-1-benzofuran-5-yl)butanoic acid
CID 84800371
2-[4,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]propanoic acid
CID 104790501

Frequently Asked Questions

What is the IUPAC name of 2-furo[2,3-f][1]benzofuran-4-ylpropanoic acid?
The IUPAC name of 2-furo[2,3-f][1]benzofuran-4-ylpropanoic acid (CID 117332166) is 2-furo[2,3-f][1]benzofuran-4-ylpropanoic acid.
What is the SMILES notation for 2-furo[2,3-f][1]benzofuran-4-ylpropanoic acid?
The canonical SMILES for 2-furo[2,3-f][1]benzofuran-4-ylpropanoic acid is CC(C(=O)O)c1c2ccoc2cc2ccoc12.
What is the InChIKey of 2-furo[2,3-f][1]benzofuran-4-ylpropanoic acid?
The InChIKey is WJTYZGJEIOKXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O4/c1-7(13(14)15)11-9-3-5-16-10(9)6-8-2-4-17-12(8)11/h2-7H,1H3,(H,14,15).
What are the key properties of 2-furo[2,3-f][1]benzofuran-4-ylpropanoic acid?
2-furo[2,3-f][1]benzofuran-4-ylpropanoic acid has a molecular weight of 230.22 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-furo[2,3-f][1]benzofuran-4-ylpropanoic acid is sourced from PubChem (CID 117332166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).