2-(2-bromophenyl)-1-(4-iodophenyl)ethanone

C14H10BrIO — CID 24723892

IUPAC2-(2-bromophenyl)-1-(4-iodophenyl)ethanone
SMILESO=C(Cc1ccccc1Br)c1ccc(I)cc1
InChIInChI=1S/C14H10BrIO/c15-13-4-2-1-3-11(13)9-14(17)10-5-7-12(16)8-6-10/h1-8H,9H2
InChIKeySDOXYLXFOUGVMT-UHFFFAOYSA-N
MW401.04 g/mol
LogP4.48
Rot. Bonds3

About 2-(2-bromophenyl)-1-(4-iodophenyl)ethanone

2-(2-bromophenyl)-1-(4-iodophenyl)ethanone (PubChem CID 24723892) has the molecular formula C14H10BrIO and a molecular weight of 401.04 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(4-iodophenyl)ethanone.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(4-iodophenyl)ethanone
PubChem CID24723892
Molecular FormulaC14H10BrIO
Molecular Weight401.04 g/mol
Exact Mass399.90
IUPAC Name2-(2-bromophenyl)-1-(4-iodophenyl)ethanone
SMILESO=C(Cc1ccccc1Br)c1ccc(I)cc1
InChIInChI=1S/C14H10BrIO/c15-13-4-2-1-3-11(13)9-14(17)10-5-7-12(16)8-6-10/h1-8H,9H2
InChIKeySDOXYLXFOUGVMT-UHFFFAOYSA-N
XLogP4.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.04
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-iodophenyl)-2-(2-methylphenyl)ethanone
CID 43160312
2-(2-bromophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 24723916
1-(4-iodophenyl)-2-phenylethanone
CID 24723884
1,3-bis(4-iodophenyl)propane-1,3-dione
CID 15256965
2-(2,3-dichlorophenyl)-1-(4-iodophenyl)ethanone
CID 107311673
2-(2-bromophenyl)acetyl bromide
CID 87290551
2-(2-bromophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 54919565
2-(3-bromothiophen-2-yl)-1-(4-iodophenyl)ethanone
CID 114969798
2-(2-bromophenyl)-1-pyridin-3-ylethanone
CID 60797587
1-[2-(2-bromophenyl)ethyl]-3-(4-iodophenyl)urea
CID 108900609
3-(2-bromophenyl)-1-phenylpropan-1-one
CID 11358208
1-(4-iodophenyl)-2-quinolin-4-ylethanone
CID 114979738

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(4-iodophenyl)ethanone?
The IUPAC name of 2-(2-bromophenyl)-1-(4-iodophenyl)ethanone (CID 24723892) is 2-(2-bromophenyl)-1-(4-iodophenyl)ethanone.
What is the SMILES notation for 2-(2-bromophenyl)-1-(4-iodophenyl)ethanone?
The canonical SMILES for 2-(2-bromophenyl)-1-(4-iodophenyl)ethanone is O=C(Cc1ccccc1Br)c1ccc(I)cc1.
What is the InChIKey of 2-(2-bromophenyl)-1-(4-iodophenyl)ethanone?
The InChIKey is SDOXYLXFOUGVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrIO/c15-13-4-2-1-3-11(13)9-14(17)10-5-7-12(16)8-6-10/h1-8H,9H2.
What are the key properties of 2-(2-bromophenyl)-1-(4-iodophenyl)ethanone?
2-(2-bromophenyl)-1-(4-iodophenyl)ethanone has a molecular weight of 401.04 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(4-iodophenyl)ethanone is sourced from PubChem (CID 24723892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).