5-(methoxymethyl)-1-benzofuran-2-carboxylic acid

C11H10O4 — CID 3239885

IUPAC5-(methoxymethyl)-1-benzofuran-2-carboxylic acid
SMILESCOCc1ccc2oc(C(=O)O)cc2c1
InChIInChI=1S/C11H10O4/c1-14-6-7-2-3-9-8(4-7)5-10(15-9)11(12)13/h2-5H,6H2,1H3,(H,12,13)
InChIKeyROTJSHCJTQMNCA-UHFFFAOYSA-N
MW206.20 g/mol
LogP2.28
Rot. Bonds3

About 5-(methoxymethyl)-1-benzofuran-2-carboxylic acid

5-(methoxymethyl)-1-benzofuran-2-carboxylic acid (PubChem CID 3239885) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is 5-(methoxymethyl)-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name5-(methoxymethyl)-1-benzofuran-2-carboxylic acid
PubChem CID3239885
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name5-(methoxymethyl)-1-benzofuran-2-carboxylic acid
SMILESCOCc1ccc2oc(C(=O)O)cc2c1
InChIInChI=1S/C11H10O4/c1-14-6-7-2-3-9-8(4-7)5-10(15-9)11(12)13/h2-5H,6H2,1H3,(H,12,13)
InChIKeyROTJSHCJTQMNCA-UHFFFAOYSA-N
XLogP2.28
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-1-benzofuran-2-carboxylic acid?
The IUPAC name of 5-(methoxymethyl)-1-benzofuran-2-carboxylic acid (CID 3239885) is 5-(methoxymethyl)-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 5-(methoxymethyl)-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 5-(methoxymethyl)-1-benzofuran-2-carboxylic acid is COCc1ccc2oc(C(=O)O)cc2c1.
What is the InChIKey of 5-(methoxymethyl)-1-benzofuran-2-carboxylic acid?
The InChIKey is ROTJSHCJTQMNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c1-14-6-7-2-3-9-8(4-7)5-10(15-9)11(12)13/h2-5H,6H2,1H3,(H,12,13).
What are the key properties of 5-(methoxymethyl)-1-benzofuran-2-carboxylic acid?
5-(methoxymethyl)-1-benzofuran-2-carboxylic acid has a molecular weight of 206.20 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 3239885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).