4-(5-methoxy-2-benzofuran-1-yl)butanoic acid

C13H14O4 — CID 57092549

IUPAC4-(5-methoxy-2-benzofuran-1-yl)butanoic acid
SMILESCOc1ccc2c(CCCC(=O)O)occ2c1
InChIInChI=1S/C13H14O4/c1-16-10-5-6-11-9(7-10)8-17-12(11)3-2-4-13(14)15/h5-8H,2-4H2,1H3,(H,14,15)
InChIKeyMBKUBPLKOIIKRP-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.85
Rot. Bonds5

About 4-(5-methoxy-2-benzofuran-1-yl)butanoic acid

4-(5-methoxy-2-benzofuran-1-yl)butanoic acid (PubChem CID 57092549) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is 4-(5-methoxy-2-benzofuran-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(5-methoxy-2-benzofuran-1-yl)butanoic acid
PubChem CID57092549
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Name4-(5-methoxy-2-benzofuran-1-yl)butanoic acid
SMILESCOc1ccc2c(CCCC(=O)O)occ2c1
InChIInChI=1S/C13H14O4/c1-16-10-5-6-11-9(7-10)8-17-12(11)3-2-4-13(14)15/h5-8H,2-4H2,1H3,(H,14,15)
InChIKeyMBKUBPLKOIIKRP-UHFFFAOYSA-N
XLogP2.85
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-2-benzofuran-1-yl)butanoic acid?
The IUPAC name of 4-(5-methoxy-2-benzofuran-1-yl)butanoic acid (CID 57092549) is 4-(5-methoxy-2-benzofuran-1-yl)butanoic acid.
What is the SMILES notation for 4-(5-methoxy-2-benzofuran-1-yl)butanoic acid?
The canonical SMILES for 4-(5-methoxy-2-benzofuran-1-yl)butanoic acid is COc1ccc2c(CCCC(=O)O)occ2c1.
What is the InChIKey of 4-(5-methoxy-2-benzofuran-1-yl)butanoic acid?
The InChIKey is MBKUBPLKOIIKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O4/c1-16-10-5-6-11-9(7-10)8-17-12(11)3-2-4-13(14)15/h5-8H,2-4H2,1H3,(H,14,15).
What are the key properties of 4-(5-methoxy-2-benzofuran-1-yl)butanoic acid?
4-(5-methoxy-2-benzofuran-1-yl)butanoic acid has a molecular weight of 234.25 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-2-benzofuran-1-yl)butanoic acid is sourced from PubChem (CID 57092549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).