6-methoxy-1-benzofuran-2-carboxylic acid

C10H8O4 — CID 918863

IUPAC6-methoxy-1-benzofuran-2-carboxylic acid
SMILESCOc1ccc2cc(C(=O)O)oc2c1
InChIInChI=1S/C10H8O4/c1-13-7-3-2-6-4-9(10(11)12)14-8(6)5-7/h2-5H,1H3,(H,11,12)
InChIKeyIQELKSYGXWBQJA-UHFFFAOYSA-N
MW192.17 g/mol
LogP2.14
Rot. Bonds2

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

6-methoxy-1-benzofuran-2-carboxylic acid (PubChem CID 918863) has the molecular formula C10H8O4 and a molecular weight of 192.17 g/mol. Its IUPAC name is 6-methoxy-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-1-benzofuran-2-carboxylic acid
PubChem CID918863
Molecular FormulaC10H8O4
Molecular Weight192.17 g/mol
Exact Mass192.04
IUPAC Name6-methoxy-1-benzofuran-2-carboxylic acid
SMILESCOc1ccc2cc(C(=O)O)oc2c1
InChIInChI=1S/C10H8O4/c1-13-7-3-2-6-4-9(10(11)12)14-8(6)5-7/h2-5H,1H3,(H,11,12)
InChIKeyIQELKSYGXWBQJA-UHFFFAOYSA-N
XLogP2.14
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-benzofuran-2-carboxylic acid?
The IUPAC name of 6-methoxy-1-benzofuran-2-carboxylic acid (CID 918863) is 6-methoxy-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 6-methoxy-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 6-methoxy-1-benzofuran-2-carboxylic acid is COc1ccc2cc(C(=O)O)oc2c1.
What is the InChIKey of 6-methoxy-1-benzofuran-2-carboxylic acid?
The InChIKey is IQELKSYGXWBQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O4/c1-13-7-3-2-6-4-9(10(11)12)14-8(6)5-7/h2-5H,1H3,(H,11,12).
What are the key properties of 6-methoxy-1-benzofuran-2-carboxylic acid?
6-methoxy-1-benzofuran-2-carboxylic acid has a molecular weight of 192.17 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 918863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).