1-(2-bromo-4-chlorophenyl)-2-hydroxyethanone

C8H6BrClO2 — CID 157216536

IUPAC1-(2-bromo-4-chlorophenyl)-2-hydroxyethanone
SMILESO=C(CO)c1ccc(Cl)cc1Br
InChIInChI=1S/C8H6BrClO2/c9-7-3-5(10)1-2-6(7)8(12)4-11/h1-3,11H,4H2
InChIKeyASMHOBCTMSTRNR-UHFFFAOYSA-N
MW249.49 g/mol
LogP2.28
Rot. Bonds2

About 1-(2-bromo-4-chlorophenyl)-2-hydroxyethanone

1-(2-bromo-4-chlorophenyl)-2-hydroxyethanone (PubChem CID 157216536) has the molecular formula C8H6BrClO2 and a molecular weight of 249.49 g/mol. Its IUPAC name is 1-(2-bromo-4-chlorophenyl)-2-hydroxyethanone.

Molecular Properties

Compound Name1-(2-bromo-4-chlorophenyl)-2-hydroxyethanone
PubChem CID157216536
Molecular FormulaC8H6BrClO2
Molecular Weight249.49 g/mol
Exact Mass247.92
IUPAC Name1-(2-bromo-4-chlorophenyl)-2-hydroxyethanone
SMILESO=C(CO)c1ccc(Cl)cc1Br
InChIInChI=1S/C8H6BrClO2/c9-7-3-5(10)1-2-6(7)8(12)4-11/h1-3,11H,4H2
InChIKeyASMHOBCTMSTRNR-UHFFFAOYSA-N
XLogP2.28
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.49
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-chlorophenyl)-2-chloroethanone
CID 103693977
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1-(2-bromo-4-chlorophenyl)-4-methylpent-4-en-1-one
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1-(2-bromo-4-chlorophenyl)-2-(4-methylphenyl)ethanone
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1-(2-bromo-4-chlorophenyl)-2-(3,4-difluorophenyl)ethanone
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1-(2-bromo-4-chlorophenyl)-5-methylhexan-1-one
CID 107996604
1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 114025529
1-(2-bromo-4-chlorophenyl)-2-(1H-imidazol-2-yl)ethanone
CID 107987148
2-bromo-4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide
CID 107988364
2-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide
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1-(2-bromo-4-methylphenyl)-2-(2,5-dichlorophenyl)ethanone
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2-bromo-4-chloro-N-(5-hydroxypentyl)benzamide
CID 107342949

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chlorophenyl)-2-hydroxyethanone?
The IUPAC name of 1-(2-bromo-4-chlorophenyl)-2-hydroxyethanone (CID 157216536) is 1-(2-bromo-4-chlorophenyl)-2-hydroxyethanone.
What is the SMILES notation for 1-(2-bromo-4-chlorophenyl)-2-hydroxyethanone?
The canonical SMILES for 1-(2-bromo-4-chlorophenyl)-2-hydroxyethanone is O=C(CO)c1ccc(Cl)cc1Br.
What is the InChIKey of 1-(2-bromo-4-chlorophenyl)-2-hydroxyethanone?
The InChIKey is ASMHOBCTMSTRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClO2/c9-7-3-5(10)1-2-6(7)8(12)4-11/h1-3,11H,4H2.
What are the key properties of 1-(2-bromo-4-chlorophenyl)-2-hydroxyethanone?
1-(2-bromo-4-chlorophenyl)-2-hydroxyethanone has a molecular weight of 249.49 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-chlorophenyl)-2-hydroxyethanone is sourced from PubChem (CID 157216536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).