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

C12H12O4 — CID 68711320

IUPAC4-(methoxymethyl)-3-methyl-1-benzofuran-2-carboxylic acid
SMILESCOCc1cccc2oc(C(=O)O)c(C)c12
InChIInChI=1S/C12H12O4/c1-7-10-8(6-15-2)4-3-5-9(10)16-11(7)12(13)14/h3-5H,6H2,1-2H3,(H,13,14)
InChIKeyBBDWNWTYWXEXSC-UHFFFAOYSA-N
MW220.22 g/mol
LogP2.59
Rot. Bonds3

About 4-(methoxymethyl)-3-methyl-1-benzofuran-2-carboxylic acid

4-(methoxymethyl)-3-methyl-1-benzofuran-2-carboxylic acid (PubChem CID 68711320) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is 4-(methoxymethyl)-3-methyl-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name4-(methoxymethyl)-3-methyl-1-benzofuran-2-carboxylic acid
PubChem CID68711320
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Name4-(methoxymethyl)-3-methyl-1-benzofuran-2-carboxylic acid
SMILESCOCc1cccc2oc(C(=O)O)c(C)c12
InChIInChI=1S/C12H12O4/c1-7-10-8(6-15-2)4-3-5-9(10)16-11(7)12(13)14/h3-5H,6H2,1-2H3,(H,13,14)
InChIKeyBBDWNWTYWXEXSC-UHFFFAOYSA-N
XLogP2.59
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-1-benzofuran-2-carboxylic acid
CID 68715819
4-[(2-methoxyphenyl)methoxy]-3-methyl-1-benzofuran-2-carboxylic acid
CID 10710216
4-(1-methoxyethyl)-3-methyl-1-benzofuran-2-carboxylic acid
CID 68714524
4-[(4-methoxyphenyl)methoxy]-3-methyl-1-benzofuran-2-carboxylic acid
CID 10543106
4-[(3-methoxyphenyl)methoxy]-3-methyl-1-benzofuran-2-carboxylic acid
CID 10638827
4-ethenyl-3-methyl-1-benzofuran-2-carboxylic acid
CID 68713889
4-(2-methoxyethyl)-3-methyl-N-(4-phenylphenyl)-1-benzofuran-2-carboxamide
CID 141073019
ethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-1-benzofuran-2-carboxylate
CID 68711986
3-amino-4-ethyl-1-benzofuran-2-carboxylic acid
CID 66733988
3-(methoxymethyl)-1-benzofuran-4-carboxylic acid
CID 117170513
4-(1,3-benzodioxol-5-ylmethoxy)-3-methyl-1-benzofuran-2-carboxylic acid
CID 11723886
(2S)-2-[[4-[4-[[4-(methoxymethyl)-3-methyl-1-benzofuran-2-carbonyl]amino]phenyl]phenyl]sulfonyl-methylamino]-3-methylbutanoic acid
CID 68714479

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-3-methyl-1-benzofuran-2-carboxylic acid?
The IUPAC name of 4-(methoxymethyl)-3-methyl-1-benzofuran-2-carboxylic acid (CID 68711320) is 4-(methoxymethyl)-3-methyl-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 4-(methoxymethyl)-3-methyl-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 4-(methoxymethyl)-3-methyl-1-benzofuran-2-carboxylic acid is COCc1cccc2oc(C(=O)O)c(C)c12.
What is the InChIKey of 4-(methoxymethyl)-3-methyl-1-benzofuran-2-carboxylic acid?
The InChIKey is BBDWNWTYWXEXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O4/c1-7-10-8(6-15-2)4-3-5-9(10)16-11(7)12(13)14/h3-5H,6H2,1-2H3,(H,13,14).
What are the key properties of 4-(methoxymethyl)-3-methyl-1-benzofuran-2-carboxylic acid?
4-(methoxymethyl)-3-methyl-1-benzofuran-2-carboxylic acid has a molecular weight of 220.22 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-3-methyl-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 68711320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).