2-bromo-1-(2-bromo-3-hydroxyphenyl)ethanone

C8H6Br2O2 — CID 130883630

IUPAC2-bromo-1-(2-bromo-3-hydroxyphenyl)ethanone
SMILESO=C(CBr)c1cccc(O)c1Br
InChIInChI=1S/C8H6Br2O2/c9-4-7(12)5-2-1-3-6(11)8(5)10/h1-3,11H,4H2
InChIKeyBLDHTINJYRDVAA-UHFFFAOYSA-N
MW293.94 g/mol
LogP2.73
Rot. Bonds2

About 2-bromo-1-(2-bromo-3-hydroxyphenyl)ethanone

2-bromo-1-(2-bromo-3-hydroxyphenyl)ethanone (PubChem CID 130883630) has the molecular formula C8H6Br2O2 and a molecular weight of 293.94 g/mol. Its IUPAC name is 2-bromo-1-(2-bromo-3-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(2-bromo-3-hydroxyphenyl)ethanone
PubChem CID130883630
Molecular FormulaC8H6Br2O2
Molecular Weight293.94 g/mol
Exact Mass291.87
IUPAC Name2-bromo-1-(2-bromo-3-hydroxyphenyl)ethanone
SMILESO=C(CBr)c1cccc(O)c1Br
InChIInChI=1S/C8H6Br2O2/c9-4-7(12)5-2-1-3-6(11)8(5)10/h1-3,11H,4H2
InChIKeyBLDHTINJYRDVAA-UHFFFAOYSA-N
XLogP2.73
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.94
LogP ≤ 52.73
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

2-bromo-1-(2-bromo-3-ethylphenyl)ethanone
CID 130066516
1-(2-bromo-3-hydroxyphenyl)-3-chloropropan-1-one
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2-bromo-1-(2-bromophenyl)ethanone
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(2S)-4-(2-bromo-3-hydroxyphenyl)-2-hydroxy-4-oxobutanoic acid
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2-bromo-1-(4-bromo-2-hydroxyphenyl)ethanone
CID 91882526
1-(2-acetylphenyl)-2-bromoethanone
CID 10037328
2-bromo-1-(2,4-dibromo-3-chlorophenyl)ethanone
CID 171009965
2-bromo-1-(2-bromo-3,4-dichlorophenyl)ethanone
CID 171004805
2-bromo-1-(2-methylsulfanylphenyl)ethanone
CID 22462171
2-bromo-1-(2-bromo-3-fluoro-4-methylphenyl)ethanone
CID 171007588
2-bromo-1-(2-bromo-6-fluoro-3-hydroxyphenyl)ethanone
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2-bromo-1-(2-methylfuran-3-yl)ethanone
CID 75360830

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2-bromo-3-hydroxyphenyl)ethanone?
The IUPAC name of 2-bromo-1-(2-bromo-3-hydroxyphenyl)ethanone (CID 130883630) is 2-bromo-1-(2-bromo-3-hydroxyphenyl)ethanone.
What is the SMILES notation for 2-bromo-1-(2-bromo-3-hydroxyphenyl)ethanone?
The canonical SMILES for 2-bromo-1-(2-bromo-3-hydroxyphenyl)ethanone is O=C(CBr)c1cccc(O)c1Br.
What is the InChIKey of 2-bromo-1-(2-bromo-3-hydroxyphenyl)ethanone?
The InChIKey is BLDHTINJYRDVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2O2/c9-4-7(12)5-2-1-3-6(11)8(5)10/h1-3,11H,4H2.
What are the key properties of 2-bromo-1-(2-bromo-3-hydroxyphenyl)ethanone?
2-bromo-1-(2-bromo-3-hydroxyphenyl)ethanone has a molecular weight of 293.94 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2-bromo-3-hydroxyphenyl)ethanone is sourced from PubChem (CID 130883630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).