6-hydroxy-1-benzofuran-2-carboxylic acid

C9H6O4 — CID 15531574

IUPAC6-hydroxy-1-benzofuran-2-carboxylic acid
SMILESO=C(O)c1cc2ccc(O)cc2o1
InChIInChI=1S/C9H6O4/c10-6-2-1-5-3-8(9(11)12)13-7(5)4-6/h1-4,10H,(H,11,12)
InChIKeyYVQBMJRTSYWMFD-UHFFFAOYSA-N
MW178.14 g/mol
LogP1.84
Rot. Bonds1

About 6-hydroxy-1-benzofuran-2-carboxylic acid

6-hydroxy-1-benzofuran-2-carboxylic acid (PubChem CID 15531574) has the molecular formula C9H6O4 and a molecular weight of 178.14 g/mol. Its IUPAC name is 6-hydroxy-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-1-benzofuran-2-carboxylic acid
PubChem CID15531574
Molecular FormulaC9H6O4
Molecular Weight178.14 g/mol
Exact Mass178.03
IUPAC Name6-hydroxy-1-benzofuran-2-carboxylic acid
SMILESO=C(O)c1cc2ccc(O)cc2o1
InChIInChI=1S/C9H6O4/c10-6-2-1-5-3-8(9(11)12)13-7(5)4-6/h1-4,10H,(H,11,12)
InChIKeyYVQBMJRTSYWMFD-UHFFFAOYSA-N
XLogP1.84
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.14
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-benzofuran-2-carboxylic acid?
The IUPAC name of 6-hydroxy-1-benzofuran-2-carboxylic acid (CID 15531574) is 6-hydroxy-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 6-hydroxy-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 6-hydroxy-1-benzofuran-2-carboxylic acid is O=C(O)c1cc2ccc(O)cc2o1.
What is the InChIKey of 6-hydroxy-1-benzofuran-2-carboxylic acid?
The InChIKey is YVQBMJRTSYWMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O4/c10-6-2-1-5-3-8(9(11)12)13-7(5)4-6/h1-4,10H,(H,11,12).
What are the key properties of 6-hydroxy-1-benzofuran-2-carboxylic acid?
6-hydroxy-1-benzofuran-2-carboxylic acid has a molecular weight of 178.14 g/mol, XLogP of 1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 15531574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).