2-bromo-1-(4-iodophenyl)-2-phenylethanone

C14H10BrIO — CID 14067171

IUPAC2-bromo-1-(4-iodophenyl)-2-phenylethanone
SMILESO=C(c1ccc(I)cc1)C(Br)c1ccccc1
InChIInChI=1S/C14H10BrIO/c15-13(10-4-2-1-3-5-10)14(17)11-6-8-12(16)9-7-11/h1-9,13H
InChIKeyDUESZYOJKIBMHX-UHFFFAOYSA-N
MW401.04 g/mol
LogP4.61
Rot. Bonds3

About 2-bromo-1-(4-iodophenyl)-2-phenylethanone

2-bromo-1-(4-iodophenyl)-2-phenylethanone (PubChem CID 14067171) has the molecular formula C14H10BrIO and a molecular weight of 401.04 g/mol. Its IUPAC name is 2-bromo-1-(4-iodophenyl)-2-phenylethanone.

Molecular Properties

Compound Name2-bromo-1-(4-iodophenyl)-2-phenylethanone
PubChem CID14067171
Molecular FormulaC14H10BrIO
Molecular Weight401.04 g/mol
Exact Mass399.90
IUPAC Name2-bromo-1-(4-iodophenyl)-2-phenylethanone
SMILESO=C(c1ccc(I)cc1)C(Br)c1ccccc1
InChIInChI=1S/C14H10BrIO/c15-13(10-4-2-1-3-5-10)14(17)11-6-8-12(16)9-7-11/h1-9,13H
InChIKeyDUESZYOJKIBMHX-UHFFFAOYSA-N
XLogP4.61
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 ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-bromo-1-(4-hydroxyphenyl)-2-phenylethanone
CID 129405100
2-bromo-1-(4-methylsulfanylphenyl)-2-phenylethanone
CID 11336208
1-(4-iodophenyl)-2-phenylbutan-1-one
CID 11772471
(2S)-2-bromo-2-phenylacetate
CID 7000043
2-bromo-2-(3-butoxyphenyl)-1-(4-iodophenyl)ethanone
CID 89029481
(2R)-2-(4-iodophenyl)-1-phenylpropan-1-one
CID 135054881
2-bromo-1-phenyl-2-[4-(trifluoromethyl)phenyl]ethanone
CID 54412235
1-(4-iodophenyl)-2-phenyl-2-pyridin-2-ylethanone
CID 90680427
2-bromo-2-(4-methylsulfonylphenyl)-1-phenylethanone
CID 15315212
[1-[4-(2-bromo-2-phenylacetyl)phenyl]cyclobutyl]carbamic acid
CID 87096157
2-bromo-2-phenylethaneperoxoic acid
CID 121326341
4-iodobenzoic acid;nickel
CID 54603201

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(4-iodophenyl)-2-phenylethanone?
The IUPAC name of 2-bromo-1-(4-iodophenyl)-2-phenylethanone (CID 14067171) is 2-bromo-1-(4-iodophenyl)-2-phenylethanone.
What is the SMILES notation for 2-bromo-1-(4-iodophenyl)-2-phenylethanone?
The canonical SMILES for 2-bromo-1-(4-iodophenyl)-2-phenylethanone is O=C(c1ccc(I)cc1)C(Br)c1ccccc1.
What is the InChIKey of 2-bromo-1-(4-iodophenyl)-2-phenylethanone?
The InChIKey is DUESZYOJKIBMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrIO/c15-13(10-4-2-1-3-5-10)14(17)11-6-8-12(16)9-7-11/h1-9,13H.
What are the key properties of 2-bromo-1-(4-iodophenyl)-2-phenylethanone?
2-bromo-1-(4-iodophenyl)-2-phenylethanone has a molecular weight of 401.04 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(4-iodophenyl)-2-phenylethanone is sourced from PubChem (CID 14067171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).