5,6-dihydroxy-1-benzofuran-2-carboxylic acid

C9H6O5 — CID 19021389

IUPAC5,6-dihydroxy-1-benzofuran-2-carboxylic acid
SMILESO=C(O)c1cc2cc(O)c(O)cc2o1
InChIInChI=1S/C9H6O5/c10-5-1-4-2-8(9(12)13)14-7(4)3-6(5)11/h1-3,10-11H,(H,12,13)
InChIKeyGPZJDPBWFAXWDX-UHFFFAOYSA-N
MW194.14 g/mol
LogP1.54
Rot. Bonds1

About 5,6-dihydroxy-1-benzofuran-2-carboxylic acid

5,6-dihydroxy-1-benzofuran-2-carboxylic acid (PubChem CID 19021389) has the molecular formula C9H6O5 and a molecular weight of 194.14 g/mol. Its IUPAC name is 5,6-dihydroxy-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name5,6-dihydroxy-1-benzofuran-2-carboxylic acid
PubChem CID19021389
Molecular FormulaC9H6O5
Molecular Weight194.14 g/mol
Exact Mass194.02
IUPAC Name5,6-dihydroxy-1-benzofuran-2-carboxylic acid
SMILESO=C(O)c1cc2cc(O)c(O)cc2o1
InChIInChI=1S/C9H6O5/c10-5-1-4-2-8(9(12)13)14-7(4)3-6(5)11/h1-3,10-11H,(H,12,13)
InChIKeyGPZJDPBWFAXWDX-UHFFFAOYSA-N
XLogP1.54
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.14
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

benzo[f][1]benzofuran-2-carboxylic acid
CID 21450579
6-chloro-5-methyl-1-benzofuran-2-carboxylic acid
CID 130064962
CID 169217611
CID 169217611
CID 89093866
CID 89093866
SODIUM, 5-BROMO-BENZOFURAN-2-CARBOXYLATE
CID 126957561
5-nitroso-1-benzofuran-2-carboxylic acid
CID 88894319
5-[(2-carboxy-1-benzofuran-5-yl)carbamoylamino]-1-benzofuran-2-carboxylic acid
CID 71013533
5,6-dihydroxy-4-oxochromene-2-carboxylic acid
CID 18546047
6-hydroxy-N,N-dimethyl-5-propan-2-yl-1-benzofuran-2-carboxamide
CID 166586500
6,7-dihydroxychromen-2-one
CID 5281416
6-methyl-5-(3-methyl-2-methylidenebutanoyl)-1-benzofuran-2-carboxylic acid
CID 154105054
5-(3-amino-1,2-dihydroxy-3-oxopropyl)-1-benzofuran-2-carboxylic acid
CID 171868975

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydroxy-1-benzofuran-2-carboxylic acid?
The IUPAC name of 5,6-dihydroxy-1-benzofuran-2-carboxylic acid (CID 19021389) is 5,6-dihydroxy-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 5,6-dihydroxy-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 5,6-dihydroxy-1-benzofuran-2-carboxylic acid is O=C(O)c1cc2cc(O)c(O)cc2o1.
What is the InChIKey of 5,6-dihydroxy-1-benzofuran-2-carboxylic acid?
The InChIKey is GPZJDPBWFAXWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O5/c10-5-1-4-2-8(9(12)13)14-7(4)3-6(5)11/h1-3,10-11H,(H,12,13).
What are the key properties of 5,6-dihydroxy-1-benzofuran-2-carboxylic acid?
5,6-dihydroxy-1-benzofuran-2-carboxylic acid has a molecular weight of 194.14 g/mol, XLogP of 1.54, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydroxy-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 19021389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).