1-benzofuran-2-yl-(5-bromo-2-iodophenyl)methanone

C15H8BrIO2 — CID 114032573

IUPAC1-benzofuran-2-yl-(5-bromo-2-iodophenyl)methanone
SMILESO=C(c1cc2ccccc2o1)c1cc(Br)ccc1I
InChIInChI=1S/C15H8BrIO2/c16-10-5-6-12(17)11(8-10)15(18)14-7-9-3-1-2-4-13(9)19-14/h1-8H
InChIKeyUHFJNOGFUIDDAJ-UHFFFAOYSA-N
MW427.04 g/mol
LogP5.03
Rot. Bonds2

About 1-benzofuran-2-yl-(5-bromo-2-iodophenyl)methanone

1-benzofuran-2-yl-(5-bromo-2-iodophenyl)methanone (PubChem CID 114032573) has the molecular formula C15H8BrIO2 and a molecular weight of 427.04 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(5-bromo-2-iodophenyl)methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-(5-bromo-2-iodophenyl)methanone
PubChem CID114032573
Molecular FormulaC15H8BrIO2
Molecular Weight427.04 g/mol
Exact Mass425.88
IUPAC Name1-benzofuran-2-yl-(5-bromo-2-iodophenyl)methanone
SMILESO=C(c1cc2ccccc2o1)c1cc(Br)ccc1I
InChIInChI=1S/C15H8BrIO2/c16-10-5-6-12(17)11(8-10)15(18)14-7-9-3-1-2-4-13(9)19-14/h1-8H
InChIKeyUHFJNOGFUIDDAJ-UHFFFAOYSA-N
XLogP5.03
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.04
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-benzofuran-2-yl-(5-bromo-2-iodophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzofuran-2-yl(2-benzofuran-1-yl)methanone
CID 141203650
N-(4-bromo-2-ethylphenyl)-1-benzofuran-2-carboxamide
CID 80999240
1-benzofuran-2-yl-(3-methylazulen-1-yl)methanone
CID 11055263
1-benzofuran-2-yl-(5-hydroxy-1-benzofuran-2-yl)methanone
CID 58035506
1-benzofuran-2-yl-(5-methylfuran-3-yl)methanone
CID 115807026
1-(1-benzofuran-2-yl)ethanone
CID 15435
(5-amino-1H-pyrazol-4-yl)-(1-benzofuran-2-yl)methanone
CID 114725427
N-(3-bromophenyl)-1-benzofuran-2-carboxamide
CID 802478
1-benzofuran-2-yl-(2-bromo-6-fluorophenyl)methanone
CID 114885395
5-bromo-2-(2-oxochromen-3-yl)benzamide
CID 91688734
1-benzofuran-2-yl-(4-propan-2-yloxyphenyl)methanone
CID 29075985
(2,4-dibromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone
CID 107944793

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(5-bromo-2-iodophenyl)methanone?
The IUPAC name of 1-benzofuran-2-yl-(5-bromo-2-iodophenyl)methanone (CID 114032573) is 1-benzofuran-2-yl-(5-bromo-2-iodophenyl)methanone.
What is the SMILES notation for 1-benzofuran-2-yl-(5-bromo-2-iodophenyl)methanone?
The canonical SMILES for 1-benzofuran-2-yl-(5-bromo-2-iodophenyl)methanone is O=C(c1cc2ccccc2o1)c1cc(Br)ccc1I.
What is the InChIKey of 1-benzofuran-2-yl-(5-bromo-2-iodophenyl)methanone?
The InChIKey is UHFJNOGFUIDDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrIO2/c16-10-5-6-12(17)11(8-10)15(18)14-7-9-3-1-2-4-13(9)19-14/h1-8H.
What are the key properties of 1-benzofuran-2-yl-(5-bromo-2-iodophenyl)methanone?
1-benzofuran-2-yl-(5-bromo-2-iodophenyl)methanone has a molecular weight of 427.04 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(5-bromo-2-iodophenyl)methanone is sourced from PubChem (CID 114032573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).