5-hydroxy-6-iodo-2-methyl-1-benzofuran-3-carboxylic acid

C10H7IO4 — CID 121472735

IUPAC5-hydroxy-6-iodo-2-methyl-1-benzofuran-3-carboxylic acid
SMILESCc1oc2cc(I)c(O)cc2c1C(=O)O
InChIInChI=1S/C10H7IO4/c1-4-9(10(13)14)5-2-7(12)6(11)3-8(5)15-4/h2-3,12H,1H3,(H,13,14)
InChIKeyUUCDFENOFAWRMR-UHFFFAOYSA-N
MW318.07 g/mol
LogP2.75
Rot. Bonds1

About 5-hydroxy-6-iodo-2-methyl-1-benzofuran-3-carboxylic acid

5-hydroxy-6-iodo-2-methyl-1-benzofuran-3-carboxylic acid (PubChem CID 121472735) has the molecular formula C10H7IO4 and a molecular weight of 318.07 g/mol. Its IUPAC name is 5-hydroxy-6-iodo-2-methyl-1-benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-6-iodo-2-methyl-1-benzofuran-3-carboxylic acid
PubChem CID121472735
Molecular FormulaC10H7IO4
Molecular Weight318.07 g/mol
Exact Mass317.94
IUPAC Name5-hydroxy-6-iodo-2-methyl-1-benzofuran-3-carboxylic acid
SMILESCc1oc2cc(I)c(O)cc2c1C(=O)O
InChIInChI=1S/C10H7IO4/c1-4-9(10(13)14)5-2-7(12)6(11)3-8(5)15-4/h2-3,12H,1H3,(H,13,14)
InChIKeyUUCDFENOFAWRMR-UHFFFAOYSA-N
XLogP2.75
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.07
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-iodo-2-methyl-1-benzofuran-3-carboxylic acid?
The IUPAC name of 5-hydroxy-6-iodo-2-methyl-1-benzofuran-3-carboxylic acid (CID 121472735) is 5-hydroxy-6-iodo-2-methyl-1-benzofuran-3-carboxylic acid.
What is the SMILES notation for 5-hydroxy-6-iodo-2-methyl-1-benzofuran-3-carboxylic acid?
The canonical SMILES for 5-hydroxy-6-iodo-2-methyl-1-benzofuran-3-carboxylic acid is Cc1oc2cc(I)c(O)cc2c1C(=O)O.
What is the InChIKey of 5-hydroxy-6-iodo-2-methyl-1-benzofuran-3-carboxylic acid?
The InChIKey is UUCDFENOFAWRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7IO4/c1-4-9(10(13)14)5-2-7(12)6(11)3-8(5)15-4/h2-3,12H,1H3,(H,13,14).
What are the key properties of 5-hydroxy-6-iodo-2-methyl-1-benzofuran-3-carboxylic acid?
5-hydroxy-6-iodo-2-methyl-1-benzofuran-3-carboxylic acid has a molecular weight of 318.07 g/mol, XLogP of 2.75, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-iodo-2-methyl-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 121472735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).