5-(2-bromo-4,5-dimethylphenyl)-4-methylpentan-2-one

C14H19BrO — CID 83921892

IUPAC5-(2-bromo-4,5-dimethylphenyl)-4-methylpentan-2-one
SMILESCC(=O)CC(C)Cc1cc(C)c(C)cc1Br
InChIInChI=1S/C14H19BrO/c1-9(5-12(4)16)6-13-7-10(2)11(3)8-14(13)15/h7-9H,5-6H2,1-4H3
InChIKeyGVWVHZIRXUIPNB-UHFFFAOYSA-N
MW283.21 g/mol
LogP4.22
Rot. Bonds4

About 5-(2-bromo-4,5-dimethylphenyl)-4-methylpentan-2-one

5-(2-bromo-4,5-dimethylphenyl)-4-methylpentan-2-one (PubChem CID 83921892) has the molecular formula C14H19BrO and a molecular weight of 283.21 g/mol. Its IUPAC name is 5-(2-bromo-4,5-dimethylphenyl)-4-methylpentan-2-one.

Molecular Properties

Compound Name5-(2-bromo-4,5-dimethylphenyl)-4-methylpentan-2-one
PubChem CID83921892
Molecular FormulaC14H19BrO
Molecular Weight283.21 g/mol
Exact Mass282.06
IUPAC Name5-(2-bromo-4,5-dimethylphenyl)-4-methylpentan-2-one
SMILESCC(=O)CC(C)Cc1cc(C)c(C)cc1Br
InChIInChI=1S/C14H19BrO/c1-9(5-12(4)16)6-13-7-10(2)11(3)8-14(13)15/h7-9H,5-6H2,1-4H3
InChIKeyGVWVHZIRXUIPNB-UHFFFAOYSA-N
XLogP4.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(2-bromo-4-methylphenyl)-4-methylpentan-2-one
CID 83924454
5-(2-bromo-5-fluorophenyl)-4-methylpentan-2-one
CID 64720945
4-methyl-5-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-2-one
CID 83937000
1-bromo-2-ethyl-4,5-dimethylbenzene
CID 90213759
5-(4-bromophenyl)-4-methylpentan-2-one
CID 64718506
5-(4-hydroxy-3-methylphenyl)-4-methylpentan-2-one
CID 83922980
5-(2,5-diethylphenyl)-4-methylpentan-2-one
CID 83920938
5-(3,5-dimethyl-2-propoxyphenyl)-4-methylpentan-2-one
CID 83942194
5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-one
CID 83942693
1-bromo-2-[(2-bromo-4,5-dimethylphenyl)methyl]-4,5-dimethylbenzene
CID 155667841
1-(4-bromo-3-methylphenyl)-2-methylpentane-1,4-dione
CID 66480813
4-(2,5-dibromo-4-methylphenyl)butan-2-one
CID 14493520

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-4,5-dimethylphenyl)-4-methylpentan-2-one?
The IUPAC name of 5-(2-bromo-4,5-dimethylphenyl)-4-methylpentan-2-one (CID 83921892) is 5-(2-bromo-4,5-dimethylphenyl)-4-methylpentan-2-one.
What is the SMILES notation for 5-(2-bromo-4,5-dimethylphenyl)-4-methylpentan-2-one?
The canonical SMILES for 5-(2-bromo-4,5-dimethylphenyl)-4-methylpentan-2-one is CC(=O)CC(C)Cc1cc(C)c(C)cc1Br.
What is the InChIKey of 5-(2-bromo-4,5-dimethylphenyl)-4-methylpentan-2-one?
The InChIKey is GVWVHZIRXUIPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO/c1-9(5-12(4)16)6-13-7-10(2)11(3)8-14(13)15/h7-9H,5-6H2,1-4H3.
What are the key properties of 5-(2-bromo-4,5-dimethylphenyl)-4-methylpentan-2-one?
5-(2-bromo-4,5-dimethylphenyl)-4-methylpentan-2-one has a molecular weight of 283.21 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-4,5-dimethylphenyl)-4-methylpentan-2-one is sourced from PubChem (CID 83921892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).