6-bromo-2-(2-iodophenyl)chromen-4-one

C15H8BrIO2 — CID 86249786

IUPAC6-bromo-2-(2-iodophenyl)chromen-4-one
SMILESO=c1cc(-c2ccccc2I)oc2ccc(Br)cc12
InChIInChI=1S/C15H8BrIO2/c16-9-5-6-14-11(7-9)13(18)8-15(19-14)10-3-1-2-4-12(10)17/h1-8H
InChIKeyJUYPVXLWRXLEKN-UHFFFAOYSA-N
MW427.04 g/mol
LogP4.83
Rot. Bonds1

About 6-bromo-2-(2-iodophenyl)chromen-4-one

6-bromo-2-(2-iodophenyl)chromen-4-one (PubChem CID 86249786) has the molecular formula C15H8BrIO2 and a molecular weight of 427.04 g/mol. Its IUPAC name is 6-bromo-2-(2-iodophenyl)chromen-4-one.

Molecular Properties

Compound Name6-bromo-2-(2-iodophenyl)chromen-4-one
PubChem CID86249786
Molecular FormulaC15H8BrIO2
Molecular Weight427.04 g/mol
Exact Mass425.88
IUPAC Name6-bromo-2-(2-iodophenyl)chromen-4-one
SMILESO=c1cc(-c2ccccc2I)oc2ccc(Br)cc12
InChIInChI=1S/C15H8BrIO2/c16-9-5-6-14-11(7-9)13(18)8-15(19-14)10-3-1-2-4-12(10)17/h1-8H
InChIKeyJUYPVXLWRXLEKN-UHFFFAOYSA-N
XLogP4.83
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.04
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(5-bromo-2-hydroxyphenyl)chromen-4-one
CID 146365267
8-bromo-2-(2-iodophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135867908
6-chloro-2-(2-chlorophenyl)chromen-4-one
CID 688872
6-bromo-2-[4-(trifluoromethyl)phenyl]chromen-4-one
CID 71741264
2-bromo-6-iododibenzofuran
CID 129100797
6-bromo-2-(chloromethyl)chromen-4-one
CID 126484643
6-bromo-2-(2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-one
CID 984016
2-(2-chlorophenyl)-6-hydroxychromen-4-one
CID 14982999
6-bromo-2-methoxychromen-4-one
CID 54016071
2-dibenzofuran-1-ylchromen-4-one
CID 168888509
2-(2-methylphenyl)chromen-4-one
CID 776385
6-methoxy-2-(2-methoxyphenyl)chromen-4-one
CID 676288

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-iodophenyl)chromen-4-one?
The IUPAC name of 6-bromo-2-(2-iodophenyl)chromen-4-one (CID 86249786) is 6-bromo-2-(2-iodophenyl)chromen-4-one.
What is the SMILES notation for 6-bromo-2-(2-iodophenyl)chromen-4-one?
The canonical SMILES for 6-bromo-2-(2-iodophenyl)chromen-4-one is O=c1cc(-c2ccccc2I)oc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-2-(2-iodophenyl)chromen-4-one?
The InChIKey is JUYPVXLWRXLEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrIO2/c16-9-5-6-14-11(7-9)13(18)8-15(19-14)10-3-1-2-4-12(10)17/h1-8H.
What are the key properties of 6-bromo-2-(2-iodophenyl)chromen-4-one?
6-bromo-2-(2-iodophenyl)chromen-4-one has a molecular weight of 427.04 g/mol, XLogP of 4.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-iodophenyl)chromen-4-one is sourced from PubChem (CID 86249786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).