1-(3-bromo-5-chlorophenyl)-2-methylpropan-1-one

C10H10BrClO — CID 103942633

IUPAC1-(3-bromo-5-chlorophenyl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C10H10BrClO/c1-6(2)10(13)7-3-8(11)5-9(12)4-7/h3-6H,1-2H3
InChIKeyPDQWRPMTIOCSHH-UHFFFAOYSA-N
MW261.55 g/mol
LogP3.94
Rot. Bonds2

About 1-(3-bromo-5-chlorophenyl)-2-methylpropan-1-one

1-(3-bromo-5-chlorophenyl)-2-methylpropan-1-one (PubChem CID 103942633) has the molecular formula C10H10BrClO and a molecular weight of 261.55 g/mol. Its IUPAC name is 1-(3-bromo-5-chlorophenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(3-bromo-5-chlorophenyl)-2-methylpropan-1-one
PubChem CID103942633
Molecular FormulaC10H10BrClO
Molecular Weight261.55 g/mol
Exact Mass259.96
IUPAC Name1-(3-bromo-5-chlorophenyl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C10H10BrClO/c1-6(2)10(13)7-3-8(11)5-9(12)4-7/h3-6H,1-2H3
InChIKeyPDQWRPMTIOCSHH-UHFFFAOYSA-N
XLogP3.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.55
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(3-bromo-5-chlorophenyl)-2-methylpropan-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

Related Compounds

3-(3-bromo-5-chlorophenyl)-2-methyl-3-oxopropanenitrile
CID 107955073
1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-dione
CID 139745262
1-(3-bromo-5-chlorophenyl)-4-methoxy-2-methylbutan-1-one
CID 107944782
1-(3-bromo-5-chlorophenyl)-2-pyridin-4-ylpropan-1-one
CID 107957027
3-bromo-5-chlorobenzoyl chloride
CID 50998129
1-(3-bromo-5-chlorophenyl)-3-methylbut-2-en-1-one
CID 107944599
3-bromo-5-chlorobenzamide
CID 53417471
1-[4-(3-bromo-5-chlorobenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 103826408
3-bromo-5-chloro-N-methyl-N-(3-methylbutan-2-yl)benzamide
CID 103826716
3-bromo-N-(1-bromopropan-2-yl)-5-chlorobenzamide
CID 107941244
3-bromo-5-chloro-N-[(2S)-2-hydroxypropyl]benzamide
CID 103884654
(3-bromo-5-chlorophenyl)-(4-propan-2-yloxyphenyl)methanone
CID 107944446

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chlorophenyl)-2-methylpropan-1-one?
The IUPAC name of 1-(3-bromo-5-chlorophenyl)-2-methylpropan-1-one (CID 103942633) is 1-(3-bromo-5-chlorophenyl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(3-bromo-5-chlorophenyl)-2-methylpropan-1-one?
The canonical SMILES for 1-(3-bromo-5-chlorophenyl)-2-methylpropan-1-one is CC(C)C(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-chlorophenyl)-2-methylpropan-1-one?
The InChIKey is PDQWRPMTIOCSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClO/c1-6(2)10(13)7-3-8(11)5-9(12)4-7/h3-6H,1-2H3.
What are the key properties of 1-(3-bromo-5-chlorophenyl)-2-methylpropan-1-one?
1-(3-bromo-5-chlorophenyl)-2-methylpropan-1-one has a molecular weight of 261.55 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chlorophenyl)-2-methylpropan-1-one is sourced from PubChem (CID 103942633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).