2-butyl-1-benzofuran-5-carboxylic acid

C13H14O3 — CID 71574140

IUPAC2-butyl-1-benzofuran-5-carboxylic acid
SMILESCCCCc1cc2cc([14C](=O)O)ccc2o1
InChIInChI=1S/C13H14O3/c1-2-3-4-11-8-10-7-9(13(14)15)5-6-12(10)16-11/h5-8H,2-4H2,1H3,(H,14,15)/i13+2
InChIKeyCUXKKMXGLHFXLF-ALWQSETLSA-N
MW220.24 g/mol
LogP3.47
Rot. Bonds4

About 2-butyl-1-benzofuran-5-carboxylic acid

2-butyl-1-benzofuran-5-carboxylic acid (PubChem CID 71574140) has the molecular formula C13H14O3 and a molecular weight of 220.24 g/mol. Its IUPAC name is 2-butyl-1-benzofuran-5-carboxylic acid.

Molecular Properties

Compound Name2-butyl-1-benzofuran-5-carboxylic acid
PubChem CID71574140
Molecular FormulaC13H14O3
Molecular Weight220.24 g/mol
Exact Mass220.10
IUPAC Name2-butyl-1-benzofuran-5-carboxylic acid
SMILESCCCCc1cc2cc([14C](=O)O)ccc2o1
InChIInChI=1S/C13H14O3/c1-2-3-4-11-8-10-7-9(13(14)15)5-6-12(10)16-11/h5-8H,2-4H2,1H3,(H,14,15)/i13+2
InChIKeyCUXKKMXGLHFXLF-ALWQSETLSA-N
XLogP3.47
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-benzofuran-5-carboxylic acid?
The IUPAC name of 2-butyl-1-benzofuran-5-carboxylic acid (CID 71574140) is 2-butyl-1-benzofuran-5-carboxylic acid.
What is the SMILES notation for 2-butyl-1-benzofuran-5-carboxylic acid?
The canonical SMILES for 2-butyl-1-benzofuran-5-carboxylic acid is CCCCc1cc2cc([14C](=O)O)ccc2o1.
What is the InChIKey of 2-butyl-1-benzofuran-5-carboxylic acid?
The InChIKey is CUXKKMXGLHFXLF-ALWQSETLSA-N. The full InChI is InChI=1S/C13H14O3/c1-2-3-4-11-8-10-7-9(13(14)15)5-6-12(10)16-11/h5-8H,2-4H2,1H3,(H,14,15)/i13+2.
What are the key properties of 2-butyl-1-benzofuran-5-carboxylic acid?
2-butyl-1-benzofuran-5-carboxylic acid has a molecular weight of 220.24 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-benzofuran-5-carboxylic acid is sourced from PubChem (CID 71574140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).