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

C11H10O4 — CID 2461722

IUPAC3-(methoxymethyl)-1-benzofuran-2-carboxylic acid
SMILESCOCc1c(C(=O)O)oc2ccccc12
InChIInChI=1S/C11H10O4/c1-14-6-8-7-4-2-3-5-9(7)15-10(8)11(12)13/h2-5H,6H2,1H3,(H,12,13)
InChIKeyJBBVMFGRVHQEBV-UHFFFAOYSA-N
MW206.20 g/mol
LogP2.28
Rot. Bonds3

About 3-(methoxymethyl)-1-benzofuran-2-carboxylic acid

3-(methoxymethyl)-1-benzofuran-2-carboxylic acid (PubChem CID 2461722) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is 3-(methoxymethyl)-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name3-(methoxymethyl)-1-benzofuran-2-carboxylic acid
PubChem CID2461722
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name3-(methoxymethyl)-1-benzofuran-2-carboxylic acid
SMILESCOCc1c(C(=O)O)oc2ccccc12
InChIInChI=1S/C11H10O4/c1-14-6-8-7-4-2-3-5-9(7)15-10(8)11(12)13/h2-5H,6H2,1H3,(H,12,13)
InChIKeyJBBVMFGRVHQEBV-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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Related Compounds

Benzofuran-2-carboxylic acid
CID 10331
5-(2-Methoxyphenyl)-2-furoic acid
CID 776315
Gosferol
CID 511358
Ethanone, 1-(3-methyl-2-benzofuranyl)-
CID 2507689
3-Methyl-1-benzofuran-2-carboxylic acid
CID 600591
1-Benzofuran-3-carboxylic acid
CID 595655
Ethyl 5-hydroxy-2-methyl-3-benzofurancarboxylate
CID 81704
2-(8-Oxatricyclo(7.4.0.0,2,7)trideca-1(9),2,4,6-tetraen-4-yloxy)acetic acid
CID 2927343
5-(2-(Trifluoromethoxy)phenyl)-2-furoic acid
CID 834826
Pangelin
CID 44144315
2-Benzofurancarboxylic acid, 5-methoxy-, ethyl ester
CID 521283
Ketone, 3-benzoylbenzofuran-5-yl hydroperoxymethyl
CID 755496

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1-benzofuran-2-carboxylic acid?
The IUPAC name of 3-(methoxymethyl)-1-benzofuran-2-carboxylic acid (CID 2461722) is 3-(methoxymethyl)-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 3-(methoxymethyl)-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 3-(methoxymethyl)-1-benzofuran-2-carboxylic acid is COCc1c(C(=O)O)oc2ccccc12.
What is the InChIKey of 3-(methoxymethyl)-1-benzofuran-2-carboxylic acid?
The InChIKey is JBBVMFGRVHQEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c1-14-6-8-7-4-2-3-5-9(7)15-10(8)11(12)13/h2-5H,6H2,1H3,(H,12,13).
What are the key properties of 3-(methoxymethyl)-1-benzofuran-2-carboxylic acid?
3-(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 3-(methoxymethyl)-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 2461722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).