7-methoxy-2,3-dimethyl-1-benzofuran-5-carboxylic acid

C12H12O4 — CID 23468813

IUPAC7-methoxy-2,3-dimethyl-1-benzofuran-5-carboxylic acid
SMILESCOc1cc(C(=O)O)cc2c(C)c(C)oc12
InChIInChI=1S/C12H12O4/c1-6-7(2)16-11-9(6)4-8(12(13)14)5-10(11)15-3/h4-5H,1-3H3,(H,13,14)
InChIKeyGGLDGDBYXRBLPR-UHFFFAOYSA-N
MW220.22 g/mol
LogP2.76
Rot. Bonds2

About 7-methoxy-2,3-dimethyl-1-benzofuran-5-carboxylic acid

7-methoxy-2,3-dimethyl-1-benzofuran-5-carboxylic acid (PubChem CID 23468813) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is 7-methoxy-2,3-dimethyl-1-benzofuran-5-carboxylic acid.

Molecular Properties

Compound Name7-methoxy-2,3-dimethyl-1-benzofuran-5-carboxylic acid
PubChem CID23468813
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Name7-methoxy-2,3-dimethyl-1-benzofuran-5-carboxylic acid
SMILESCOc1cc(C(=O)O)cc2c(C)c(C)oc12
InChIInChI=1S/C12H12O4/c1-6-7(2)16-11-9(6)4-8(12(13)14)5-10(11)15-3/h4-5H,1-3H3,(H,13,14)
InChIKeyGGLDGDBYXRBLPR-UHFFFAOYSA-N
XLogP2.76
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7-methoxy-2,3-dimethyl-1-benzofuran-5-yl) hydrogen carbonate
CID 70592341
7-methoxy-1,2,3-trimethylindole-5-carboxylic acid
CID 84696644
4-carboxy-2,6-dimethoxyphenolate
CID 54694262
4-hydroxy-3,5-dimethoxybenzoic acid;hydrochloride
CID 162316978
7-methoxy-3-methyl-2H-indazole-5-carboxylic acid
CID 66920545
5-amino-2,3-dimethyl-1-benzofuran-7-carboxylic acid
CID 84673019
8-methoxy-6-methyl-4-oxochromene-2-carboxylic acid
CID 847725
3-methoxy-5-methyl-4-[(Z)-prop-1-enyl]benzoic acid
CID 126606923
2-(4-bromo-7-methoxy-2-methyl-1-benzofuran-5-yl)acetic acid
CID 117481516
4,6,7-trimethoxy-8-propan-2-ylnaphthalene-2-carboxylic acid
CID 11088021
3,4-dibromo-5-methoxybenzoic acid
CID 171002426
3,5-dimethoxy-4-(111C)methylidyneazaniumylbenzoic acid
CID 177120819

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,3-dimethyl-1-benzofuran-5-carboxylic acid?
The IUPAC name of 7-methoxy-2,3-dimethyl-1-benzofuran-5-carboxylic acid (CID 23468813) is 7-methoxy-2,3-dimethyl-1-benzofuran-5-carboxylic acid.
What is the SMILES notation for 7-methoxy-2,3-dimethyl-1-benzofuran-5-carboxylic acid?
The canonical SMILES for 7-methoxy-2,3-dimethyl-1-benzofuran-5-carboxylic acid is COc1cc(C(=O)O)cc2c(C)c(C)oc12.
What is the InChIKey of 7-methoxy-2,3-dimethyl-1-benzofuran-5-carboxylic acid?
The InChIKey is GGLDGDBYXRBLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O4/c1-6-7(2)16-11-9(6)4-8(12(13)14)5-10(11)15-3/h4-5H,1-3H3,(H,13,14).
What are the key properties of 7-methoxy-2,3-dimethyl-1-benzofuran-5-carboxylic acid?
7-methoxy-2,3-dimethyl-1-benzofuran-5-carboxylic acid has a molecular weight of 220.22 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,3-dimethyl-1-benzofuran-5-carboxylic acid is sourced from PubChem (CID 23468813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).