(4-iodophenyl) 1-benzofuran-2-carboxylate

C15H9IO3 — CID 1220129

IUPAC(4-iodophenyl) 1-benzofuran-2-carboxylate
SMILESO=C(Oc1ccc(I)cc1)c1cc2ccccc2o1
InChIInChI=1S/C15H9IO3/c16-11-5-7-12(8-6-11)18-15(17)14-9-10-3-1-2-4-13(10)19-14/h1-9H
InChIKeyIJODOLTXHRETTG-UHFFFAOYSA-N
MW364.14 g/mol
LogP4.26
Rot. Bonds2

About (4-iodophenyl) 1-benzofuran-2-carboxylate

(4-iodophenyl) 1-benzofuran-2-carboxylate (PubChem CID 1220129) has the molecular formula C15H9IO3 and a molecular weight of 364.14 g/mol. Its IUPAC name is (4-iodophenyl) 1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name(4-iodophenyl) 1-benzofuran-2-carboxylate
PubChem CID1220129
Molecular FormulaC15H9IO3
Molecular Weight364.14 g/mol
Exact Mass363.96
IUPAC Name(4-iodophenyl) 1-benzofuran-2-carboxylate
SMILESO=C(Oc1ccc(I)cc1)c1cc2ccccc2o1
InChIInChI=1S/C15H9IO3/c16-11-5-7-12(8-6-11)18-15(17)14-9-10-3-1-2-4-13(10)19-14/h1-9H
InChIKeyIJODOLTXHRETTG-UHFFFAOYSA-N
XLogP4.26
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.14
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxyphenyl) 1-benzofuran-2-carboxylate
CID 659898
[4-(4-methylphenyl)phenyl] 1-benzofuran-2-carboxylate
CID 19189316
dimethyl 5-(1-benzofuran-2-carbonyloxy)benzene-1,3-dicarboxylate
CID 8018328
N-(4-iodophenyl)-1-benzofuran-2-carboxamide
CID 986281
[4-[benzenesulfonyl(methyl)amino]phenyl] 1-benzofuran-2-carboxylate
CID 7750186
1-(1-benzofuran-2-yl)ethanone
CID 15435
(2-bromophenyl) 1-benzofuran-2-carboxylate
CID 17391637
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 1-benzofuran-2-carboxylate
CID 33186848
tert-butyl 1-benzofuran-2-carboxylate
CID 63896278
(1-methylbenzimidazol-5-yl) 1-benzofuran-2-carboxylate
CID 71790638
ethyl 7-(1-benzofuran-2-carbonyloxy)-2-oxochromene-3-carboxylate
CID 19189332
benzhydryl 1-benzofuran-2-carboxylate
CID 7210554

Frequently Asked Questions

What is the IUPAC name of (4-iodophenyl) 1-benzofuran-2-carboxylate?
The IUPAC name of (4-iodophenyl) 1-benzofuran-2-carboxylate (CID 1220129) is (4-iodophenyl) 1-benzofuran-2-carboxylate.
What is the SMILES notation for (4-iodophenyl) 1-benzofuran-2-carboxylate?
The canonical SMILES for (4-iodophenyl) 1-benzofuran-2-carboxylate is O=C(Oc1ccc(I)cc1)c1cc2ccccc2o1.
What is the InChIKey of (4-iodophenyl) 1-benzofuran-2-carboxylate?
The InChIKey is IJODOLTXHRETTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9IO3/c16-11-5-7-12(8-6-11)18-15(17)14-9-10-3-1-2-4-13(10)19-14/h1-9H.
What are the key properties of (4-iodophenyl) 1-benzofuran-2-carboxylate?
(4-iodophenyl) 1-benzofuran-2-carboxylate has a molecular weight of 364.14 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-iodophenyl) 1-benzofuran-2-carboxylate is sourced from PubChem (CID 1220129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).