3-bromo-4-(2-bromo-3-chlorophenyl)pentan-2-one

C11H11Br2ClO — CID 103481508

IUPAC3-bromo-4-(2-bromo-3-chlorophenyl)pentan-2-one
SMILESCC(=O)C(Br)C(C)c1cccc(Cl)c1Br
InChIInChI=1S/C11H11Br2ClO/c1-6(10(12)7(2)15)8-4-3-5-9(14)11(8)13/h3-6,10H,1-2H3
InChIKeyQWEGPDXIFHGCQO-UHFFFAOYSA-N
MW354.47 g/mol
LogP4.56
Rot. Bonds3

About 3-bromo-4-(2-bromo-3-chlorophenyl)pentan-2-one

3-bromo-4-(2-bromo-3-chlorophenyl)pentan-2-one (PubChem CID 103481508) has the molecular formula C11H11Br2ClO and a molecular weight of 354.47 g/mol. Its IUPAC name is 3-bromo-4-(2-bromo-3-chlorophenyl)pentan-2-one.

Molecular Properties

Compound Name3-bromo-4-(2-bromo-3-chlorophenyl)pentan-2-one
PubChem CID103481508
Molecular FormulaC11H11Br2ClO
Molecular Weight354.47 g/mol
Exact Mass351.89
IUPAC Name3-bromo-4-(2-bromo-3-chlorophenyl)pentan-2-one
SMILESCC(=O)C(Br)C(C)c1cccc(Cl)c1Br
InChIInChI=1S/C11H11Br2ClO/c1-6(10(12)7(2)15)8-4-3-5-9(14)11(8)13/h3-6,10H,1-2H3
InChIKeyQWEGPDXIFHGCQO-UHFFFAOYSA-N
XLogP4.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-bromo-4-(2,3-dichlorophenyl)pentan-2-one
CID 64719825
3-bromo-4-(2-bromo-3-chlorophenyl)butan-2-one
CID 103481506
3-bromo-4-(2-chloro-5-iodophenyl)pentan-2-one
CID 130499593
3-bromo-4-(3-fluoro-2-iodophenyl)pentan-2-one
CID 130499590
(1R)-1-(2-bromo-3-chlorophenyl)-2-methylpropan-1-amine
CID 131107919
(1S)-1-(2-bromo-3-chlorophenyl)-2-methylpropan-1-amine
CID 130740924
S-[3-(2-bromo-3-chlorophenyl)-2,3-dihydroxypropyl] ethanethioate
CID 170823231
3-bromo-4-[2-chloro-4-(trifluoromethyl)phenyl]pentan-2-one
CID 64720279
2,3-dibromo-3-(2-chlorophenyl)propanoyl chloride
CID 22119015
1-bromo-1-[2-(bromomethyl)-3-chlorophenyl]propan-2-one
CID 131118990
1-(2-chloro-6-propan-2-ylphenyl)ethanone
CID 157111113
1-(2-bromo-3-chlorophenyl)propan-2-one
CID 83724712

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(2-bromo-3-chlorophenyl)pentan-2-one?
The IUPAC name of 3-bromo-4-(2-bromo-3-chlorophenyl)pentan-2-one (CID 103481508) is 3-bromo-4-(2-bromo-3-chlorophenyl)pentan-2-one.
What is the SMILES notation for 3-bromo-4-(2-bromo-3-chlorophenyl)pentan-2-one?
The canonical SMILES for 3-bromo-4-(2-bromo-3-chlorophenyl)pentan-2-one is CC(=O)C(Br)C(C)c1cccc(Cl)c1Br.
What is the InChIKey of 3-bromo-4-(2-bromo-3-chlorophenyl)pentan-2-one?
The InChIKey is QWEGPDXIFHGCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2ClO/c1-6(10(12)7(2)15)8-4-3-5-9(14)11(8)13/h3-6,10H,1-2H3.
What are the key properties of 3-bromo-4-(2-bromo-3-chlorophenyl)pentan-2-one?
3-bromo-4-(2-bromo-3-chlorophenyl)pentan-2-one has a molecular weight of 354.47 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(2-bromo-3-chlorophenyl)pentan-2-one is sourced from PubChem (CID 103481508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).