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

C11H10O4 — CID 2384598

IUPAC5-methoxy-3-methyl-1-benzofuran-2-carboxylic acid
SMILESCOc1ccc2oc(C(=O)O)c(C)c2c1
InChIInChI=1S/C11H10O4/c1-6-8-5-7(14-2)3-4-9(8)15-10(6)11(12)13/h3-5H,1-2H3,(H,12,13)
InChIKeyBKOHXOOAJNTFCM-UHFFFAOYSA-N
MW206.20 g/mol
LogP2.45
Rot. Bonds2

About 5-methoxy-3-methyl-1-benzofuran-2-carboxylic acid

5-methoxy-3-methyl-1-benzofuran-2-carboxylic acid (PubChem CID 2384598) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is 5-methoxy-3-methyl-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name5-methoxy-3-methyl-1-benzofuran-2-carboxylic acid
PubChem CID2384598
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name5-methoxy-3-methyl-1-benzofuran-2-carboxylic acid
SMILESCOc1ccc2oc(C(=O)O)c(C)c2c1
InChIInChI=1S/C11H10O4/c1-6-8-5-7(14-2)3-4-9(8)15-10(6)11(12)13/h3-5H,1-2H3,(H,12,13)
InChIKeyBKOHXOOAJNTFCM-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 5-methoxy-3-methyl-1-benzofuran-2-carboxylic acid?
The IUPAC name of 5-methoxy-3-methyl-1-benzofuran-2-carboxylic acid (CID 2384598) is 5-methoxy-3-methyl-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 5-methoxy-3-methyl-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 5-methoxy-3-methyl-1-benzofuran-2-carboxylic acid is COc1ccc2oc(C(=O)O)c(C)c2c1.
What is the InChIKey of 5-methoxy-3-methyl-1-benzofuran-2-carboxylic acid?
The InChIKey is BKOHXOOAJNTFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c1-6-8-5-7(14-2)3-4-9(8)15-10(6)11(12)13/h3-5H,1-2H3,(H,12,13).
What are the key properties of 5-methoxy-3-methyl-1-benzofuran-2-carboxylic acid?
5-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 5-methoxy-3-methyl-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 2384598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).