4-methoxy-6-methyl-1-benzofuran-2-carboxylic acid

C11H10O4 — CID 84673879

IUPAC4-methoxy-6-methyl-1-benzofuran-2-carboxylic acid
SMILESCOc1cc(C)cc2oc(C(=O)O)cc12
InChIInChI=1S/C11H10O4/c1-6-3-8(14-2)7-5-10(11(12)13)15-9(7)4-6/h3-5H,1-2H3,(H,12,13)
InChIKeyUJSDQMVPEDYJRR-UHFFFAOYSA-N
MW206.20 g/mol
LogP2.45
Rot. Bonds2

About 4-methoxy-6-methyl-1-benzofuran-2-carboxylic acid

4-methoxy-6-methyl-1-benzofuran-2-carboxylic acid (PubChem CID 84673879) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is 4-methoxy-6-methyl-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-6-methyl-1-benzofuran-2-carboxylic acid
PubChem CID84673879
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name4-methoxy-6-methyl-1-benzofuran-2-carboxylic acid
SMILESCOc1cc(C)cc2oc(C(=O)O)cc12
InChIInChI=1S/C11H10O4/c1-6-3-8(14-2)7-5-10(11(12)13)15-9(7)4-6/h3-5H,1-2H3,(H,12,13)
InChIKeyUJSDQMVPEDYJRR-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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Related Compounds

8-methoxy-6-methyl-4-oxochromene-2-carboxylic acid
CID 847725
3-(2,3-dimethoxy-5-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117411970
4,6-di(propan-2-yloxy)-1-benzofuran-2-carboxylic acid
CID 172769354
methyl 4-chloro-6-methyl-1-benzofuran-2-carboxylate
CID 165469200
6-[5-(2-carboxy-7-methoxy-4-oxochromen-6-yl)oxypentoxy]-7-methoxy-4-oxochromene-2-carboxylic acid;dihydrate
CID 162076877
2-(2-methoxyphenyl)-6-methyl-1-benzofuran-4-carboxylic acid
CID 175186064
4-propan-2-yloxy-1-benzofuran-2-carboxylic acid
CID 68711544
1-(4-methoxy-1-benzofuran-2-yl)ethanone
CID 3042306
3-methoxy-5-methylphthalic acid
CID 12908895
1-(4,6-dimethyl-1-benzofuran-2-yl)propan-1-one
CID 65426315
3-(2-methoxy-4,6-dimethylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117369814
8-[(2-carboxy-7-methoxy-4-oxochromen-8-yl)methyl]-7-methoxy-4-oxochromene-2-carboxylic acid
CID 154093779

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-1-benzofuran-2-carboxylic acid?
The IUPAC name of 4-methoxy-6-methyl-1-benzofuran-2-carboxylic acid (CID 84673879) is 4-methoxy-6-methyl-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-6-methyl-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 4-methoxy-6-methyl-1-benzofuran-2-carboxylic acid is COc1cc(C)cc2oc(C(=O)O)cc12.
What is the InChIKey of 4-methoxy-6-methyl-1-benzofuran-2-carboxylic acid?
The InChIKey is UJSDQMVPEDYJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c1-6-3-8(14-2)7-5-10(11(12)13)15-9(7)4-6/h3-5H,1-2H3,(H,12,13).
What are the key properties of 4-methoxy-6-methyl-1-benzofuran-2-carboxylic acid?
4-methoxy-6-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 4-methoxy-6-methyl-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 84673879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).