3-hydroxy-6-methoxy-1-benzofuran-2-carboxylic acid

C10H8O5 — CID 54725263

IUPAC3-hydroxy-6-methoxy-1-benzofuran-2-carboxylic acid
SMILESCOc1ccc2c(O)c(C(=O)O)oc2c1
InChIInChI=1S/C10H8O5/c1-14-5-2-3-6-7(4-5)15-9(8(6)11)10(12)13/h2-4,11H,1H3,(H,12,13)
InChIKeyYUHQCLVJGWJABN-UHFFFAOYSA-N
MW208.17 g/mol
LogP1.85
Rot. Bonds2

About 3-hydroxy-6-methoxy-1-benzofuran-2-carboxylic acid

3-hydroxy-6-methoxy-1-benzofuran-2-carboxylic acid (PubChem CID 54725263) has the molecular formula C10H8O5 and a molecular weight of 208.17 g/mol. Its IUPAC name is 3-hydroxy-6-methoxy-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-6-methoxy-1-benzofuran-2-carboxylic acid
PubChem CID54725263
Molecular FormulaC10H8O5
Molecular Weight208.17 g/mol
Exact Mass208.04
IUPAC Name3-hydroxy-6-methoxy-1-benzofuran-2-carboxylic acid
SMILESCOc1ccc2c(O)c(C(=O)O)oc2c1
InChIInChI=1S/C10H8O5/c1-14-5-2-3-6-7(4-5)15-9(8(6)11)10(12)13/h2-4,11H,1H3,(H,12,13)
InChIKeyYUHQCLVJGWJABN-UHFFFAOYSA-N
XLogP1.85
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-6-methoxy-1-benzofuran-2-carbaldehyde
CID 135980369
3,5-dimethoxy-2-benzofuran-1-carboxylic acid
CID 70353182
5-methoxy-3-propyl-1-benzofuran-2-carboxylic acid
CID 104708339
7,17-dimethoxy-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-2,12-diol
CID 101286257
methyl 6-methoxy-3-propan-2-yloxy-1-benzofuran-2-carboxylate
CID 15131055
europium;4-hydroxy-7-methoxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;dihydrate
CID 177066413
5-methoxy-3-(2-methylpropyl)-1-benzofuran-2-carboxylic acid
CID 113443722
3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxychromen-4-one
CID 10807373
4-hydroxy-3-(4-iodophenoxy)-7-methoxychromen-2-one
CID 54678677
3-hydroxy-6-[(4-hydroxy-7-methoxy-2-oxochromen-3-yl)carbamoyl]pyridine-2-carboxylic acid
CID 54693773
[(3aS,7aR)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 70754964
9-hydroxy-3-methoxy-[1]benzofuro[3,2-c]chromen-6-one
CID 131750884

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-methoxy-1-benzofuran-2-carboxylic acid?
The IUPAC name of 3-hydroxy-6-methoxy-1-benzofuran-2-carboxylic acid (CID 54725263) is 3-hydroxy-6-methoxy-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-6-methoxy-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-6-methoxy-1-benzofuran-2-carboxylic acid is COc1ccc2c(O)c(C(=O)O)oc2c1.
What is the InChIKey of 3-hydroxy-6-methoxy-1-benzofuran-2-carboxylic acid?
The InChIKey is YUHQCLVJGWJABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O5/c1-14-5-2-3-6-7(4-5)15-9(8(6)11)10(12)13/h2-4,11H,1H3,(H,12,13).
What are the key properties of 3-hydroxy-6-methoxy-1-benzofuran-2-carboxylic acid?
3-hydroxy-6-methoxy-1-benzofuran-2-carboxylic acid has a molecular weight of 208.17 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-methoxy-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 54725263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).