4-(2,5-dibromo-4-methylphenyl)butan-2-one

C11H12Br2O — CID 14493520

IUPAC4-(2,5-dibromo-4-methylphenyl)butan-2-one
SMILESCC(=O)CCc1cc(Br)c(C)cc1Br
InChIInChI=1S/C11H12Br2O/c1-7-5-11(13)9(6-10(7)12)4-3-8(2)14/h5-6H,3-4H2,1-2H3
InChIKeyGGCGWZBBMPQIOK-UHFFFAOYSA-N
MW320.02 g/mol
LogP4.04
Rot. Bonds3

About 4-(2,5-dibromo-4-methylphenyl)butan-2-one

4-(2,5-dibromo-4-methylphenyl)butan-2-one (PubChem CID 14493520) has the molecular formula C11H12Br2O and a molecular weight of 320.02 g/mol. Its IUPAC name is 4-(2,5-dibromo-4-methylphenyl)butan-2-one.

Molecular Properties

Compound Name4-(2,5-dibromo-4-methylphenyl)butan-2-one
PubChem CID14493520
Molecular FormulaC11H12Br2O
Molecular Weight320.02 g/mol
Exact Mass317.93
IUPAC Name4-(2,5-dibromo-4-methylphenyl)butan-2-one
SMILESCC(=O)CCc1cc(Br)c(C)cc1Br
InChIInChI=1S/C11H12Br2O/c1-7-5-11(13)9(6-10(7)12)4-3-8(2)14/h5-6H,3-4H2,1-2H3
InChIKeyGGCGWZBBMPQIOK-UHFFFAOYSA-N
XLogP4.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.02
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromo-4-methyl-2-nitrophenyl)propan-2-one
CID 161312835
1,5-dibromo-2-methyl-4-propylbenzene
CID 91476014
4-[3-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 114015505
5-(2-bromo-4,5-dimethylphenyl)-4-methylpentan-2-one
CID 83921892
4-[2,3-dimethyl-5-(methylamino)phenyl]butan-2-one
CID 144767971
(4-bromo-2,5-dimethylphenyl)methanol
CID 23584045
1-[2-bromo-4-(hydroxymethyl)phenyl]propan-2-one
CID 118830117
4-[3-(3-oxobutyl)azulen-1-yl]butan-2-one
CID 23624505
4-(2,5-dibromo-4-methylphenyl)-N,2,2-trimethylbutan-1-amine
CID 81470717
(5-bromo-2-chloro-4-methylphenyl)methyl acetate
CID 89492645
4-(2-fluoro-4-methylphenyl)butan-2-one
CID 83696261
1-bromo-2-ethyl-4,5-dimethylbenzene
CID 90213759

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dibromo-4-methylphenyl)butan-2-one?
The IUPAC name of 4-(2,5-dibromo-4-methylphenyl)butan-2-one (CID 14493520) is 4-(2,5-dibromo-4-methylphenyl)butan-2-one.
What is the SMILES notation for 4-(2,5-dibromo-4-methylphenyl)butan-2-one?
The canonical SMILES for 4-(2,5-dibromo-4-methylphenyl)butan-2-one is CC(=O)CCc1cc(Br)c(C)cc1Br.
What is the InChIKey of 4-(2,5-dibromo-4-methylphenyl)butan-2-one?
The InChIKey is GGCGWZBBMPQIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2O/c1-7-5-11(13)9(6-10(7)12)4-3-8(2)14/h5-6H,3-4H2,1-2H3.
What are the key properties of 4-(2,5-dibromo-4-methylphenyl)butan-2-one?
4-(2,5-dibromo-4-methylphenyl)butan-2-one has a molecular weight of 320.02 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dibromo-4-methylphenyl)butan-2-one is sourced from PubChem (CID 14493520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).