2-bromo-1-(3,4-dichloro-2-hydroxyphenyl)ethanone

C8H5BrCl2O2 — CID 54857524

IUPAC2-bromo-1-(3,4-dichloro-2-hydroxyphenyl)ethanone
SMILESO=C(CBr)c1ccc(Cl)c(Cl)c1O
InChIInChI=1S/C8H5BrCl2O2/c9-3-6(12)4-1-2-5(10)7(11)8(4)13/h1-2,13H,3H2
InChIKeyUWLSHEXJTLHZNE-UHFFFAOYSA-N
MW283.94 g/mol
LogP3.28
Rot. Bonds2

About 2-bromo-1-(3,4-dichloro-2-hydroxyphenyl)ethanone

2-bromo-1-(3,4-dichloro-2-hydroxyphenyl)ethanone (PubChem CID 54857524) has the molecular formula C8H5BrCl2O2 and a molecular weight of 283.94 g/mol. Its IUPAC name is 2-bromo-1-(3,4-dichloro-2-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(3,4-dichloro-2-hydroxyphenyl)ethanone
PubChem CID54857524
Molecular FormulaC8H5BrCl2O2
Molecular Weight283.94 g/mol
Exact Mass281.88
IUPAC Name2-bromo-1-(3,4-dichloro-2-hydroxyphenyl)ethanone
SMILESO=C(CBr)c1ccc(Cl)c(Cl)c1O
InChIInChI=1S/C8H5BrCl2O2/c9-3-6(12)4-1-2-5(10)7(11)8(4)13/h1-2,13H,3H2
InChIKeyUWLSHEXJTLHZNE-UHFFFAOYSA-N
XLogP3.28
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.94
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dichloro-2-hydroxyphenyl)propan-1-one
CID 50987811
2-bromo-1-(2-bromo-3,4-dichlorophenyl)ethanone
CID 171004805
2-bromo-1-(2,3,6-trichlorophenyl)ethanone
CID 82629678
2-bromo-1-(2,4-dibromo-3-chlorophenyl)ethanone
CID 171009965
2-bromo-1-(4-bromo-2-hydroxy-3-iodophenyl)ethanone
CID 171007259
2-bromo-1-(2,3-dichloro-6-iodophenyl)ethanone
CID 171006521
2-bromo-1-(2,3-dichloro-6-methylphenyl)ethanone
CID 130822903
1-(5-amino-3-chloro-2-hydroxyphenyl)-2-bromoethanone
CID 171022602
1-(3-amino-4-bromo-2-chlorophenyl)-2-bromoethanone
CID 171012441
4-(2-bromoacetyl)-2,3-dichlorobenzonitrile
CID 171008228
2-bromo-1-[2-chloro-5-(trifluoromethyl)phenyl]ethanone
CID 2783183
2-bromo-1-(3-chloro-4-fluoro-2-methylphenyl)ethanone
CID 130839411

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(3,4-dichloro-2-hydroxyphenyl)ethanone?
The IUPAC name of 2-bromo-1-(3,4-dichloro-2-hydroxyphenyl)ethanone (CID 54857524) is 2-bromo-1-(3,4-dichloro-2-hydroxyphenyl)ethanone.
What is the SMILES notation for 2-bromo-1-(3,4-dichloro-2-hydroxyphenyl)ethanone?
The canonical SMILES for 2-bromo-1-(3,4-dichloro-2-hydroxyphenyl)ethanone is O=C(CBr)c1ccc(Cl)c(Cl)c1O.
What is the InChIKey of 2-bromo-1-(3,4-dichloro-2-hydroxyphenyl)ethanone?
The InChIKey is UWLSHEXJTLHZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrCl2O2/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-(3,4-dichloro-2-hydroxyphenyl)ethanone?
2-bromo-1-(3,4-dichloro-2-hydroxyphenyl)ethanone has a molecular weight of 283.94 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(3,4-dichloro-2-hydroxyphenyl)ethanone is sourced from PubChem (CID 54857524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).