4-(2-benzofuran-1-yl)butanoic acid

C12H12O3 — CID 86253677

IUPAC4-(2-benzofuran-1-yl)butanoic acid
SMILESO=C(O)CCCc1occ2ccccc12
InChIInChI=1S/C12H12O3/c13-12(14)7-3-6-11-10-5-2-1-4-9(10)8-15-11/h1-2,4-5,8H,3,6-7H2,(H,13,14)
InChIKeyMEAJAPWAUUJZNJ-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.84
Rot. Bonds4

About 4-(2-benzofuran-1-yl)butanoic acid

4-(2-benzofuran-1-yl)butanoic acid (PubChem CID 86253677) has the molecular formula C12H12O3 and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-(2-benzofuran-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(2-benzofuran-1-yl)butanoic acid
PubChem CID86253677
Molecular FormulaC12H12O3
Molecular Weight204.23 g/mol
Exact Mass204.08
IUPAC Name4-(2-benzofuran-1-yl)butanoic acid
SMILESO=C(O)CCCc1occ2ccccc12
InChIInChI=1S/C12H12O3/c13-12(14)7-3-6-11-10-5-2-1-4-9(10)8-15-11/h1-2,4-5,8H,3,6-7H2,(H,13,14)
InChIKeyMEAJAPWAUUJZNJ-UHFFFAOYSA-N
XLogP2.84
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-benzofuran-1-yl)butanoic acid?
The IUPAC name of 4-(2-benzofuran-1-yl)butanoic acid (CID 86253677) is 4-(2-benzofuran-1-yl)butanoic acid.
What is the SMILES notation for 4-(2-benzofuran-1-yl)butanoic acid?
The canonical SMILES for 4-(2-benzofuran-1-yl)butanoic acid is O=C(O)CCCc1occ2ccccc12.
What is the InChIKey of 4-(2-benzofuran-1-yl)butanoic acid?
The InChIKey is MEAJAPWAUUJZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c13-12(14)7-3-6-11-10-5-2-1-4-9(10)8-15-11/h1-2,4-5,8H,3,6-7H2,(H,13,14).
What are the key properties of 4-(2-benzofuran-1-yl)butanoic acid?
4-(2-benzofuran-1-yl)butanoic acid has a molecular weight of 204.23 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzofuran-1-yl)butanoic acid is sourced from PubChem (CID 86253677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).