1-(5-bromo-3-chloro-2-hydroxyphenyl)-3-methylbutan-1-one

C11H12BrClO2 — CID 62379748

IUPAC1-(5-bromo-3-chloro-2-hydroxyphenyl)-3-methylbutan-1-one
SMILESCC(C)CC(=O)c1cc(Br)cc(Cl)c1O
InChIInChI=1S/C11H12BrClO2/c1-6(2)3-10(14)8-4-7(12)5-9(13)11(8)15/h4-6,15H,3H2,1-2H3
InChIKeyLDOZRWKJANODPY-UHFFFAOYSA-N
MW291.57 g/mol
LogP4.04
Rot. Bonds3

About 1-(5-bromo-3-chloro-2-hydroxyphenyl)-3-methylbutan-1-one

1-(5-bromo-3-chloro-2-hydroxyphenyl)-3-methylbutan-1-one (PubChem CID 62379748) has the molecular formula C11H12BrClO2 and a molecular weight of 291.57 g/mol. Its IUPAC name is 1-(5-bromo-3-chloro-2-hydroxyphenyl)-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(5-bromo-3-chloro-2-hydroxyphenyl)-3-methylbutan-1-one
PubChem CID62379748
Molecular FormulaC11H12BrClO2
Molecular Weight291.57 g/mol
Exact Mass289.97
IUPAC Name1-(5-bromo-3-chloro-2-hydroxyphenyl)-3-methylbutan-1-one
SMILESCC(C)CC(=O)c1cc(Br)cc(Cl)c1O
InChIInChI=1S/C11H12BrClO2/c1-6(2)3-10(14)8-4-7(12)5-9(13)11(8)15/h4-6,15H,3H2,1-2H3
InChIKeyLDOZRWKJANODPY-UHFFFAOYSA-N
XLogP4.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.57
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-bromo-3-chloro-2-hydroxyphenyl)-3-methylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-chloro-2-hydroxyphenyl)-3-methylbutan-1-one?
The IUPAC name of 1-(5-bromo-3-chloro-2-hydroxyphenyl)-3-methylbutan-1-one (CID 62379748) is 1-(5-bromo-3-chloro-2-hydroxyphenyl)-3-methylbutan-1-one.
What is the SMILES notation for 1-(5-bromo-3-chloro-2-hydroxyphenyl)-3-methylbutan-1-one?
The canonical SMILES for 1-(5-bromo-3-chloro-2-hydroxyphenyl)-3-methylbutan-1-one is CC(C)CC(=O)c1cc(Br)cc(Cl)c1O.
What is the InChIKey of 1-(5-bromo-3-chloro-2-hydroxyphenyl)-3-methylbutan-1-one?
The InChIKey is LDOZRWKJANODPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClO2/c1-6(2)3-10(14)8-4-7(12)5-9(13)11(8)15/h4-6,15H,3H2,1-2H3.
What are the key properties of 1-(5-bromo-3-chloro-2-hydroxyphenyl)-3-methylbutan-1-one?
1-(5-bromo-3-chloro-2-hydroxyphenyl)-3-methylbutan-1-one has a molecular weight of 291.57 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-chloro-2-hydroxyphenyl)-3-methylbutan-1-one is sourced from PubChem (CID 62379748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).