6-methoxy-3-methyl-1-benzofuran-2-carboxylic acid

C11H10O4 — CID 609890

IUPAC6-methoxy-3-methyl-1-benzofuran-2-carboxylic acid
SMILESCOc1ccc2c(C)c(C(=O)O)oc2c1
InChIInChI=1S/C11H10O4/c1-6-8-4-3-7(14-2)5-9(8)15-10(6)11(12)13/h3-5H,1-2H3,(H,12,13)
InChIKeyCQZZSFNTQLCLJF-UHFFFAOYSA-N
MW206.20 g/mol
LogP2.45
Rot. Bonds2

About 6-methoxy-3-methyl-1-benzofuran-2-carboxylic acid

6-methoxy-3-methyl-1-benzofuran-2-carboxylic acid (PubChem CID 609890) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is 6-methoxy-3-methyl-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-3-methyl-1-benzofuran-2-carboxylic acid
PubChem CID609890
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name6-methoxy-3-methyl-1-benzofuran-2-carboxylic acid
SMILESCOc1ccc2c(C)c(C(=O)O)oc2c1
InChIInChI=1S/C11H10O4/c1-6-8-4-3-7(14-2)5-9(8)15-10(6)11(12)13/h3-5H,1-2H3,(H,12,13)
InChIKeyCQZZSFNTQLCLJF-UHFFFAOYSA-N
XLogP2.45
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-methyl-1-benzofuran-2-carboxylic acid?
The IUPAC name of 6-methoxy-3-methyl-1-benzofuran-2-carboxylic acid (CID 609890) is 6-methoxy-3-methyl-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 6-methoxy-3-methyl-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 6-methoxy-3-methyl-1-benzofuran-2-carboxylic acid is COc1ccc2c(C)c(C(=O)O)oc2c1.
What is the InChIKey of 6-methoxy-3-methyl-1-benzofuran-2-carboxylic acid?
The InChIKey is CQZZSFNTQLCLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c1-6-8-4-3-7(14-2)5-9(8)15-10(6)11(12)13/h3-5H,1-2H3,(H,12,13).
What are the key properties of 6-methoxy-3-methyl-1-benzofuran-2-carboxylic acid?
6-methoxy-3-methyl-1-benzofuran-2-carboxylic acid has a molecular weight of 206.20 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-methyl-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 609890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).