3,5-dimethoxy-2-benzofuran-1-carboxylic acid

C11H10O5 — CID 70353182

IUPAC3,5-dimethoxy-2-benzofuran-1-carboxylic acid
SMILESCOc1ccc2c(C(=O)O)oc(OC)c2c1
InChIInChI=1S/C11H10O5/c1-14-6-3-4-7-8(5-6)11(15-2)16-9(7)10(12)13/h3-5H,1-2H3,(H,12,13)
InChIKeyRZZVYKLCPCKAKU-UHFFFAOYSA-N
MW222.20 g/mol
LogP2.15
Rot. Bonds3

About 3,5-dimethoxy-2-benzofuran-1-carboxylic acid

3,5-dimethoxy-2-benzofuran-1-carboxylic acid (PubChem CID 70353182) has the molecular formula C11H10O5 and a molecular weight of 222.20 g/mol. Its IUPAC name is 3,5-dimethoxy-2-benzofuran-1-carboxylic acid.

Molecular Properties

Compound Name3,5-dimethoxy-2-benzofuran-1-carboxylic acid
PubChem CID70353182
Molecular FormulaC11H10O5
Molecular Weight222.20 g/mol
Exact Mass222.05
IUPAC Name3,5-dimethoxy-2-benzofuran-1-carboxylic acid
SMILESCOc1ccc2c(C(=O)O)oc(OC)c2c1
InChIInChI=1S/C11H10O5/c1-14-6-3-4-7-8(5-6)11(15-2)16-9(7)10(12)13/h3-5H,1-2H3,(H,12,13)
InChIKeyRZZVYKLCPCKAKU-UHFFFAOYSA-N
XLogP2.15
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-6-methoxy-1-benzofuran-2-carboxylic acid
CID 54725263
5-methoxy-3-propyl-1-benzofuran-2-carboxylic acid
CID 104708339
5-methoxy-3-(2-methylpropyl)-1-benzofuran-2-carboxylic acid
CID 113443722
2-(2-bromo-5-methoxyphenyl)-1,3-oxazole-4,5-dicarboxylic acid
CID 102953853
2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxypropanoic acid
CID 2906441
1,7-dimethoxyisoquinoline-4-carboxylic acid
CID 84696458
6-methoxy-1-oxoisothiochromene-3-carboxylic acid
CID 21440743
9-methoxy-3-oxobenzo[f]chromene-2-carboxylic acid
CID 166609270
7-methoxy-1-methyl-4-oxoquinoline-2-carboxylic acid
CID 82243051
4-hydroxy-6-methoxynaphthalene-2-carboxylic acid
CID 19868719
(2S)-2-amino-2-(2-fluoro-5-methoxyphenyl)acetic acid
CID 66510641
5-methoxy-2-(2-methylpropyl)-1-benzofuran-3-carboxylic acid
CID 131696400

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-2-benzofuran-1-carboxylic acid?
The IUPAC name of 3,5-dimethoxy-2-benzofuran-1-carboxylic acid (CID 70353182) is 3,5-dimethoxy-2-benzofuran-1-carboxylic acid.
What is the SMILES notation for 3,5-dimethoxy-2-benzofuran-1-carboxylic acid?
The canonical SMILES for 3,5-dimethoxy-2-benzofuran-1-carboxylic acid is COc1ccc2c(C(=O)O)oc(OC)c2c1.
What is the InChIKey of 3,5-dimethoxy-2-benzofuran-1-carboxylic acid?
The InChIKey is RZZVYKLCPCKAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O5/c1-14-6-3-4-7-8(5-6)11(15-2)16-9(7)10(12)13/h3-5H,1-2H3,(H,12,13).
What are the key properties of 3,5-dimethoxy-2-benzofuran-1-carboxylic acid?
3,5-dimethoxy-2-benzofuran-1-carboxylic acid has a molecular weight of 222.20 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-2-benzofuran-1-carboxylic acid is sourced from PubChem (CID 70353182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).