3-(methoxymethyl)-1-benzofuran-4-carboxylic acid

C11H10O4 — CID 117170513

IUPAC3-(methoxymethyl)-1-benzofuran-4-carboxylic acid
SMILESCOCc1coc2cccc(C(=O)O)c12
InChIInChI=1S/C11H10O4/c1-14-5-7-6-15-9-4-2-3-8(10(7)9)11(12)13/h2-4,6H,5H2,1H3,(H,12,13)
InChIKeyHDOUXBMVTGGZLU-UHFFFAOYSA-N
MW206.20 g/mol
LogP2.28
Rot. Bonds3

About 3-(methoxymethyl)-1-benzofuran-4-carboxylic acid

3-(methoxymethyl)-1-benzofuran-4-carboxylic acid (PubChem CID 117170513) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is 3-(methoxymethyl)-1-benzofuran-4-carboxylic acid.

Molecular Properties

Compound Name3-(methoxymethyl)-1-benzofuran-4-carboxylic acid
PubChem CID117170513
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name3-(methoxymethyl)-1-benzofuran-4-carboxylic acid
SMILESCOCc1coc2cccc(C(=O)O)c12
InChIInChI=1S/C11H10O4/c1-14-5-7-6-15-9-4-2-3-8(10(7)9)11(12)13/h2-4,6H,5H2,1H3,(H,12,13)
InChIKeyHDOUXBMVTGGZLU-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

3-[(2-hydroxyphenoxy)methyl]-1-benzofuran-4-carboxylic acid
CID 117170500
3-(methylsulfanylmethyl)-1-benzofuran-4-carboxylic acid
CID 117170514
4-chloro-3-(methoxymethyl)-1-benzofuran
CID 117170460
4-(methoxymethyl)-3-methyl-1-benzofuran-2-carboxylic acid
CID 68711320
3-ethyl-2-(methoxymethyl)benzoic acid
CID 177243799
methoxymethylbenzene;2-(methoxymethyl)benzoic acid
CID 175486457
4-[(3-carboxy-1-benzofuran-4-yl)oxymethoxy]-1-benzofuran-3-carboxylic acid
CID 10981445
3-(methoxymethyl)-1-benzothiophene-7-carboxylic acid
CID 117181648
3-methoxy-2-(methoxymethyl)benzoic acid
CID 59838599
3-(methoxymethyl)naphthalene-2-carboxylic acid
CID 132596930
5-(2,2-dibromoethyl)-2,4-bis(methoxymethyl)benzoic acid
CID 174526749
3-[(4-methoxyphenoxy)methyl]-1-benzofuran-7-carboxylic acid
CID 117181179

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1-benzofuran-4-carboxylic acid?
The IUPAC name of 3-(methoxymethyl)-1-benzofuran-4-carboxylic acid (CID 117170513) is 3-(methoxymethyl)-1-benzofuran-4-carboxylic acid.
What is the SMILES notation for 3-(methoxymethyl)-1-benzofuran-4-carboxylic acid?
The canonical SMILES for 3-(methoxymethyl)-1-benzofuran-4-carboxylic acid is COCc1coc2cccc(C(=O)O)c12.
What is the InChIKey of 3-(methoxymethyl)-1-benzofuran-4-carboxylic acid?
The InChIKey is HDOUXBMVTGGZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c1-14-5-7-6-15-9-4-2-3-8(10(7)9)11(12)13/h2-4,6H,5H2,1H3,(H,12,13).
What are the key properties of 3-(methoxymethyl)-1-benzofuran-4-carboxylic acid?
3-(methoxymethyl)-1-benzofuran-4-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-4-carboxylic acid is sourced from PubChem (CID 117170513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).