1-(2,4-dibromophenyl)pent-4-en-1-one

C11H10Br2O — CID 107944518

IUPAC1-(2,4-dibromophenyl)pent-4-en-1-one
SMILESC=CCCC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C11H10Br2O/c1-2-3-4-11(14)9-6-5-8(12)7-10(9)13/h2,5-7H,1,3-4H2
InChIKeyRMIDTKRDYQYAGK-UHFFFAOYSA-N
MW318.01 g/mol
LogP4.36
Rot. Bonds4

About 1-(2,4-dibromophenyl)pent-4-en-1-one

1-(2,4-dibromophenyl)pent-4-en-1-one (PubChem CID 107944518) has the molecular formula C11H10Br2O and a molecular weight of 318.01 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)pent-4-en-1-one.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)pent-4-en-1-one
PubChem CID107944518
Molecular FormulaC11H10Br2O
Molecular Weight318.01 g/mol
Exact Mass315.91
IUPAC Name1-(2,4-dibromophenyl)pent-4-en-1-one
SMILESC=CCCC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C11H10Br2O/c1-2-3-4-11(14)9-6-5-8(12)7-10(9)13/h2,5-7H,1,3-4H2
InChIKeyRMIDTKRDYQYAGK-UHFFFAOYSA-N
XLogP4.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.01
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromo-2-chlorophenyl)pent-4-en-1-one
CID 114974896
1-(2,4-dibromophenyl)-4-methylpent-4-en-1-one
CID 107944764
1-(2,4-dibromophenyl)-4-methylsulfonylbutan-1-one
CID 107944317
1-(2,4-dibromophenyl)-5-methylhexan-1-one
CID 107944718
1-[2-bromo-5-(trifluoromethyl)phenyl]pent-4-en-1-one
CID 114974910
1-(2-hydroxyphenyl)pent-4-en-1-one
CID 15394978
2-(2-bromophenyl)-1-(2,4-dibromophenyl)ethanone
CID 114019079
1-(2-bromo-3-fluorophenyl)pent-4-en-1-one
CID 114974946
1-(4-amino-3-bromophenyl)pent-4-en-1-one
CID 116582002
2,4-dibromobenzoic acid
CID 11896
1-(2-bromo-5-fluorophenyl)hex-5-en-1-one
CID 114974818
1-(2,4-dibromophenyl)-2-(3,5-dimethylphenyl)ethanone
CID 107944282

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)pent-4-en-1-one?
The IUPAC name of 1-(2,4-dibromophenyl)pent-4-en-1-one (CID 107944518) is 1-(2,4-dibromophenyl)pent-4-en-1-one.
What is the SMILES notation for 1-(2,4-dibromophenyl)pent-4-en-1-one?
The canonical SMILES for 1-(2,4-dibromophenyl)pent-4-en-1-one is C=CCCC(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 1-(2,4-dibromophenyl)pent-4-en-1-one?
The InChIKey is RMIDTKRDYQYAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2O/c1-2-3-4-11(14)9-6-5-8(12)7-10(9)13/h2,5-7H,1,3-4H2.
What are the key properties of 1-(2,4-dibromophenyl)pent-4-en-1-one?
1-(2,4-dibromophenyl)pent-4-en-1-one has a molecular weight of 318.01 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)pent-4-en-1-one is sourced from PubChem (CID 107944518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).