2-bromo-1-(4-bromo-2-hydroxy-3-iodophenyl)ethanone

C8H5Br2IO2 — CID 171007259

IUPAC2-bromo-1-(4-bromo-2-hydroxy-3-iodophenyl)ethanone
SMILESO=C(CBr)c1ccc(Br)c(I)c1O
InChIInChI=1S/C8H5Br2IO2/c9-3-6(12)4-1-2-5(10)7(11)8(4)13/h1-2,13H,3H2
InChIKeyMRMUKUZGKMTTEI-UHFFFAOYSA-N
MW419.84 g/mol
LogP3.34
Rot. Bonds2

About 2-bromo-1-(4-bromo-2-hydroxy-3-iodophenyl)ethanone

2-bromo-1-(4-bromo-2-hydroxy-3-iodophenyl)ethanone (PubChem CID 171007259) has the molecular formula C8H5Br2IO2 and a molecular weight of 419.84 g/mol. Its IUPAC name is 2-bromo-1-(4-bromo-2-hydroxy-3-iodophenyl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(4-bromo-2-hydroxy-3-iodophenyl)ethanone
PubChem CID171007259
Molecular FormulaC8H5Br2IO2
Molecular Weight419.84 g/mol
Exact Mass417.77
IUPAC Name2-bromo-1-(4-bromo-2-hydroxy-3-iodophenyl)ethanone
SMILESO=C(CBr)c1ccc(Br)c(I)c1O
InChIInChI=1S/C8H5Br2IO2/c9-3-6(12)4-1-2-5(10)7(11)8(4)13/h1-2,13H,3H2
InChIKeyMRMUKUZGKMTTEI-UHFFFAOYSA-N
XLogP3.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.84
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-(2,4-dibromo-3-chlorophenyl)ethanone
CID 171009965
2-bromo-1-(3,4-dichloro-2-hydroxyphenyl)ethanone
CID 54857524
2-bromo-1-(2-bromophenyl)ethanone
CID 2737522
2-bromo-1-[3-bromo-2-hydroxy-4-(trifluoromethyl)phenyl]ethanone
CID 171007461
1-(3-amino-4-bromo-2-chlorophenyl)-2-bromoethanone
CID 171012441
2-bromo-1-(4-bromo-2-hydroxyphenyl)ethanone
CID 91882526
2-bromo-1-(2-bromo-3-iodo-4-nitrophenyl)ethanone
CID 171001694
2-bromo-1-(2-bromo-3-hydroxyphenyl)ethanone
CID 130883630
2-bromo-1-(2-bromo-5-methylphenyl)ethanone
CID 81117333
2-bromo-1-(3-bromo-2-fluoro-5-iodophenyl)ethanone
CID 171033169
2-bromo-1-(4-bromo-2-iodo-5-methylphenyl)ethanone
CID 171033512
1-(3-bromo-2-hydroxyphenyl)-2-hydroxyethanone
CID 19913824

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(4-bromo-2-hydroxy-3-iodophenyl)ethanone?
The IUPAC name of 2-bromo-1-(4-bromo-2-hydroxy-3-iodophenyl)ethanone (CID 171007259) is 2-bromo-1-(4-bromo-2-hydroxy-3-iodophenyl)ethanone.
What is the SMILES notation for 2-bromo-1-(4-bromo-2-hydroxy-3-iodophenyl)ethanone?
The canonical SMILES for 2-bromo-1-(4-bromo-2-hydroxy-3-iodophenyl)ethanone is O=C(CBr)c1ccc(Br)c(I)c1O.
What is the InChIKey of 2-bromo-1-(4-bromo-2-hydroxy-3-iodophenyl)ethanone?
The InChIKey is MRMUKUZGKMTTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br2IO2/c9-3-6(12)4-1-2-5(10)7(11)8(4)13/h1-2,13H,3H2.
What are the key properties of 2-bromo-1-(4-bromo-2-hydroxy-3-iodophenyl)ethanone?
2-bromo-1-(4-bromo-2-hydroxy-3-iodophenyl)ethanone has a molecular weight of 419.84 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(4-bromo-2-hydroxy-3-iodophenyl)ethanone is sourced from PubChem (CID 171007259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).