1-(3-bromo-2-chloro-5-hydroxyphenyl)ethanone

C8H6BrClO2 — CID 131292987

IUPAC1-(3-bromo-2-chloro-5-hydroxyphenyl)ethanone
SMILESCC(=O)c1cc(O)cc(Br)c1Cl
InChIInChI=1S/C8H6BrClO2/c1-4(11)6-2-5(12)3-7(9)8(6)10/h2-3,12H,1H3
InChIKeyKHUKIHGWWPIMDH-UHFFFAOYSA-N
MW249.49 g/mol
LogP3.01
Rot. Bonds1

About 1-(3-bromo-2-chloro-5-hydroxyphenyl)ethanone

1-(3-bromo-2-chloro-5-hydroxyphenyl)ethanone (PubChem CID 131292987) has the molecular formula C8H6BrClO2 and a molecular weight of 249.49 g/mol. Its IUPAC name is 1-(3-bromo-2-chloro-5-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3-bromo-2-chloro-5-hydroxyphenyl)ethanone
PubChem CID131292987
Molecular FormulaC8H6BrClO2
Molecular Weight249.49 g/mol
Exact Mass247.92
IUPAC Name1-(3-bromo-2-chloro-5-hydroxyphenyl)ethanone
SMILESCC(=O)c1cc(O)cc(Br)c1Cl
InChIInChI=1S/C8H6BrClO2/c1-4(11)6-2-5(12)3-7(9)8(6)10/h2-3,12H,1H3
InChIKeyKHUKIHGWWPIMDH-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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Related Compounds

1-[3-bromo-2-(difluoromethyl)-5-hydroxyphenyl]ethanone
CID 131572163
1-[2-chloro-3-(difluoromethyl)-5-hydroxyphenyl]ethanone
CID 171007175
1-(3-chloro-5-hydroxy-2-methylphenyl)ethanone
CID 89337330
1-(2-bromo-5-hydroxy-3-iodophenyl)ethanone
CID 131384007
1-(5-bromo-4-fluoro-2-hydroxyphenyl)ethanone;ethane
CID 155744413
1-(2-bromo-4-hydroxy-6-methylphenyl)ethanone
CID 131623551
1-(4-bromo-5-fluoro-2-hydroxyphenyl)ethanone
CID 53402856
1-(2-bromo-5-chloro-3-hydroxyphenyl)ethanone
CID 131292980
1-[5-bromo-2-chloro-3-(trifluoromethyl)phenyl]ethanone
CID 121227620
3-bromo-2-chloro-5-methylbenzamide
CID 131538692
propan-2-yl 3-bromo-2-(bromomethyl)-5-hydroxybenzoate
CID 133061604
(2,6-dibromo-4-hydroxyphenyl) acetate
CID 70199950

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-chloro-5-hydroxyphenyl)ethanone?
The IUPAC name of 1-(3-bromo-2-chloro-5-hydroxyphenyl)ethanone (CID 131292987) is 1-(3-bromo-2-chloro-5-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-(3-bromo-2-chloro-5-hydroxyphenyl)ethanone?
The canonical SMILES for 1-(3-bromo-2-chloro-5-hydroxyphenyl)ethanone is CC(=O)c1cc(O)cc(Br)c1Cl.
What is the InChIKey of 1-(3-bromo-2-chloro-5-hydroxyphenyl)ethanone?
The InChIKey is KHUKIHGWWPIMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClO2/c1-4(11)6-2-5(12)3-7(9)8(6)10/h2-3,12H,1H3.
What are the key properties of 1-(3-bromo-2-chloro-5-hydroxyphenyl)ethanone?
1-(3-bromo-2-chloro-5-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-(3-bromo-2-chloro-5-hydroxyphenyl)ethanone is sourced from PubChem (CID 131292987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).