1-(4-bromo-3-chloro-2-hydroxyphenyl)ethanone

C8H6BrClO2 — CID 25208274

IUPAC1-(4-bromo-3-chloro-2-hydroxyphenyl)ethanone
SMILESCC(=O)c1ccc(Br)c(Cl)c1O
InChIInChI=1S/C8H6BrClO2/c1-4(11)5-2-3-6(9)7(10)8(5)12/h2-3,12H,1H3
InChIKeyWBEDVGXIQHXFOS-UHFFFAOYSA-N
MW249.49 g/mol
LogP3.01
Rot. Bonds1

About 1-(4-bromo-3-chloro-2-hydroxyphenyl)ethanone

1-(4-bromo-3-chloro-2-hydroxyphenyl)ethanone (PubChem CID 25208274) has the molecular formula C8H6BrClO2 and a molecular weight of 249.49 g/mol. Its IUPAC name is 1-(4-bromo-3-chloro-2-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-bromo-3-chloro-2-hydroxyphenyl)ethanone
PubChem CID25208274
Molecular FormulaC8H6BrClO2
Molecular Weight249.49 g/mol
Exact Mass247.92
IUPAC Name1-(4-bromo-3-chloro-2-hydroxyphenyl)ethanone
SMILESCC(=O)c1ccc(Br)c(Cl)c1O
InChIInChI=1S/C8H6BrClO2/c1-4(11)5-2-3-6(9)7(10)8(5)12/h2-3,12H,1H3
InChIKeyWBEDVGXIQHXFOS-UHFFFAOYSA-N
XLogP3.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.49
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chloro-2-hydroxyphenyl)ethanone?
The IUPAC name of 1-(4-bromo-3-chloro-2-hydroxyphenyl)ethanone (CID 25208274) is 1-(4-bromo-3-chloro-2-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-(4-bromo-3-chloro-2-hydroxyphenyl)ethanone?
The canonical SMILES for 1-(4-bromo-3-chloro-2-hydroxyphenyl)ethanone is CC(=O)c1ccc(Br)c(Cl)c1O.
What is the InChIKey of 1-(4-bromo-3-chloro-2-hydroxyphenyl)ethanone?
The InChIKey is WBEDVGXIQHXFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClO2/c1-4(11)5-2-3-6(9)7(10)8(5)12/h2-3,12H,1H3.
What are the key properties of 1-(4-bromo-3-chloro-2-hydroxyphenyl)ethanone?
1-(4-bromo-3-chloro-2-hydroxyphenyl)ethanone has a molecular weight of 249.49 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chloro-2-hydroxyphenyl)ethanone is sourced from PubChem (CID 25208274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).