1-(2-bromo-5-hydroxy-3-iodophenyl)ethanone

C8H6BrIO2 — CID 131384007

IUPAC1-(2-bromo-5-hydroxy-3-iodophenyl)ethanone
SMILESCC(=O)c1cc(O)cc(I)c1Br
InChIInChI=1S/C8H6BrIO2/c1-4(11)6-2-5(12)3-7(10)8(6)9/h2-3,12H,1H3
InChIKeyLNVCEPRFTSQMMN-UHFFFAOYSA-N
MW340.94 g/mol
LogP2.96
Rot. Bonds1

About 1-(2-bromo-5-hydroxy-3-iodophenyl)ethanone

1-(2-bromo-5-hydroxy-3-iodophenyl)ethanone (PubChem CID 131384007) has the molecular formula C8H6BrIO2 and a molecular weight of 340.94 g/mol. Its IUPAC name is 1-(2-bromo-5-hydroxy-3-iodophenyl)ethanone.

Molecular Properties

Compound Name1-(2-bromo-5-hydroxy-3-iodophenyl)ethanone
PubChem CID131384007
Molecular FormulaC8H6BrIO2
Molecular Weight340.94 g/mol
Exact Mass339.86
IUPAC Name1-(2-bromo-5-hydroxy-3-iodophenyl)ethanone
SMILESCC(=O)c1cc(O)cc(I)c1Br
InChIInChI=1S/C8H6BrIO2/c1-4(11)6-2-5(12)3-7(10)8(6)9/h2-3,12H,1H3
InChIKeyLNVCEPRFTSQMMN-UHFFFAOYSA-N
XLogP2.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.94
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromo-3-iodo-5-nitrophenyl)ethanone
CID 131364205
1-(2,3-dibromo-5-iodophenyl)ethanone
CID 171001929
1-(3-bromo-2-chloro-5-hydroxyphenyl)ethanone
CID 131292987
1-(2-bromo-3-fluoro-5-iodophenyl)ethanone
CID 131354820
1-[3-bromo-2-(difluoromethyl)-5-hydroxyphenyl]ethanone
CID 131572163
1-(2-bromo-5-chloro-3-hydroxyphenyl)ethanone
CID 131292980
1-(5-bromo-2-iodo-4-methylphenyl)ethanone
CID 131429614
3-acetyl-2-bromo-5-iodobenzonitrile
CID 171004910
1-(4-bromo-3-chloro-5-iodophenyl)ethanone
CID 171001104
1-(2-hydroxy-3-iodo-5-methylphenyl)ethanone
CID 15495651
2-bromo-5-hydroxy-3-methylbenzoic acid
CID 66726623
1-(3-chloro-5-hydroxy-2-methylphenyl)ethanone
CID 89337330

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-hydroxy-3-iodophenyl)ethanone?
The IUPAC name of 1-(2-bromo-5-hydroxy-3-iodophenyl)ethanone (CID 131384007) is 1-(2-bromo-5-hydroxy-3-iodophenyl)ethanone.
What is the SMILES notation for 1-(2-bromo-5-hydroxy-3-iodophenyl)ethanone?
The canonical SMILES for 1-(2-bromo-5-hydroxy-3-iodophenyl)ethanone is CC(=O)c1cc(O)cc(I)c1Br.
What is the InChIKey of 1-(2-bromo-5-hydroxy-3-iodophenyl)ethanone?
The InChIKey is LNVCEPRFTSQMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrIO2/c1-4(11)6-2-5(12)3-7(10)8(6)9/h2-3,12H,1H3.
What are the key properties of 1-(2-bromo-5-hydroxy-3-iodophenyl)ethanone?
1-(2-bromo-5-hydroxy-3-iodophenyl)ethanone has a molecular weight of 340.94 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-hydroxy-3-iodophenyl)ethanone is sourced from PubChem (CID 131384007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).