1-(3-bromophenyl)-2-iodoethanone

C8H6BrIO — CID 22380807

IUPAC1-(3-bromophenyl)-2-iodoethanone
SMILESO=C(CI)c1cccc(Br)c1
InChIInChI=1S/C8H6BrIO/c9-7-3-1-2-6(4-7)8(11)5-10/h1-4H,5H2
InChIKeyCVWWAGDVPIUJFT-UHFFFAOYSA-N
MW324.94 g/mol
LogP3.07
Rot. Bonds2

About 1-(3-bromophenyl)-2-iodoethanone

1-(3-bromophenyl)-2-iodoethanone (PubChem CID 22380807) has the molecular formula C8H6BrIO and a molecular weight of 324.94 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-iodoethanone.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-iodoethanone
PubChem CID22380807
Molecular FormulaC8H6BrIO
Molecular Weight324.94 g/mol
Exact Mass323.86
IUPAC Name1-(3-bromophenyl)-2-iodoethanone
SMILESO=C(CI)c1cccc(Br)c1
InChIInChI=1S/C8H6BrIO/c9-7-3-1-2-6(4-7)8(11)5-10/h1-4H,5H2
InChIKeyCVWWAGDVPIUJFT-UHFFFAOYSA-N
XLogP3.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.94
LogP ≤ 53.07
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

1-(3-bromophenyl)propan-1-one;ethane
CID 145351715
1-(3-bromophenyl)butan-1-one
CID 18417701
[2-(3-bromophenyl)-2-oxoethyl] carbamate
CID 67555042
3-amino-1-(3-bromophenyl)propan-1-one;hydrochloride
CID 91971197
1-(3-bromophenyl)-2-(4-bromophenyl)ethanone
CID 55026809
1-(3-bromophenyl)-2-propan-2-ylsulfinylethanone
CID 64639156
1-(3-bromophenyl)-3-[2-(dimethylamino)ethyl-methylamino]propan-1-one
CID 63700510
1-(3-bromophenyl)dodecan-1-one
CID 146009457
1-(3-bromophenyl)pent-3-yn-1-one
CID 62310173
3-amino-1-(3-bromophenyl)butan-1-one
CID 81462573
3-bromo-N-sulfanylidenebenzamide
CID 58039708
1-(3-bromophenyl)-2-phenylsulfanylethanone
CID 43413344

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-iodoethanone?
The IUPAC name of 1-(3-bromophenyl)-2-iodoethanone (CID 22380807) is 1-(3-bromophenyl)-2-iodoethanone.
What is the SMILES notation for 1-(3-bromophenyl)-2-iodoethanone?
The canonical SMILES for 1-(3-bromophenyl)-2-iodoethanone is O=C(CI)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-iodoethanone?
The InChIKey is CVWWAGDVPIUJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrIO/c9-7-3-1-2-6(4-7)8(11)5-10/h1-4H,5H2.
What are the key properties of 1-(3-bromophenyl)-2-iodoethanone?
1-(3-bromophenyl)-2-iodoethanone has a molecular weight of 324.94 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-iodoethanone is sourced from PubChem (CID 22380807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).