2-(4-bromophenyl)-1-(3,5-dimethylphenyl)ethanone

C16H15BrO — CID 63411866

IUPAC2-(4-bromophenyl)-1-(3,5-dimethylphenyl)ethanone
SMILESCc1cc(C)cc(C(=O)Cc2ccc(Br)cc2)c1
InChIInChI=1S/C16H15BrO/c1-11-7-12(2)9-14(8-11)16(18)10-13-3-5-15(17)6-4-13/h3-9H,10H2,1-2H3
InChIKeyKJIVBZVEMRGZBD-UHFFFAOYSA-N
MW303.20 g/mol
LogP4.49
Rot. Bonds3

About 2-(4-bromophenyl)-1-(3,5-dimethylphenyl)ethanone

2-(4-bromophenyl)-1-(3,5-dimethylphenyl)ethanone (PubChem CID 63411866) has the molecular formula C16H15BrO and a molecular weight of 303.20 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(3,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(3,5-dimethylphenyl)ethanone
PubChem CID63411866
Molecular FormulaC16H15BrO
Molecular Weight303.20 g/mol
Exact Mass302.03
IUPAC Name2-(4-bromophenyl)-1-(3,5-dimethylphenyl)ethanone
SMILESCc1cc(C)cc(C(=O)Cc2ccc(Br)cc2)c1
InChIInChI=1S/C16H15BrO/c1-11-7-12(2)9-14(8-11)16(18)10-13-3-5-15(17)6-4-13/h3-9H,10H2,1-2H3
InChIKeyKJIVBZVEMRGZBD-UHFFFAOYSA-N
XLogP4.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromophenyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanone
CID 65299177
1-(3-bromo-5-methylphenyl)-2-(3,4-dimethylphenyl)ethanone
CID 104853112
2-(4-bromophenyl)-1-(3,5-difluorophenyl)ethanone
CID 61055894
1-(3-chloro-5-methylphenyl)-2-(4-chlorophenyl)ethanone
CID 81323958
1-(3-chloro-5-methylphenyl)-2-(4-methylphenyl)ethanone
CID 81323175
2-(4-bromophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 60797592
2-(4-bromophenyl)-1-(4-chloro-3-methylphenyl)ethanone
CID 113397199
1-(3-bromo-5-fluorophenyl)-2-(4-methylphenyl)ethanone
CID 61078086
1-(3-bromophenyl)-2-(4-bromophenyl)ethanone
CID 55026809
N-[(4-bromophenyl)methyl]-3,5-dimethylbenzamide
CID 61400488
1-(2-amino-5-methylphenyl)-2-(4-bromophenyl)ethanone
CID 116581383
2-(3,4-dimethoxyphenyl)-1-(3,5-dimethylphenyl)ethanone
CID 60919062

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(3,5-dimethylphenyl)ethanone?
The IUPAC name of 2-(4-bromophenyl)-1-(3,5-dimethylphenyl)ethanone (CID 63411866) is 2-(4-bromophenyl)-1-(3,5-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(4-bromophenyl)-1-(3,5-dimethylphenyl)ethanone?
The canonical SMILES for 2-(4-bromophenyl)-1-(3,5-dimethylphenyl)ethanone is Cc1cc(C)cc(C(=O)Cc2ccc(Br)cc2)c1.
What is the InChIKey of 2-(4-bromophenyl)-1-(3,5-dimethylphenyl)ethanone?
The InChIKey is KJIVBZVEMRGZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO/c1-11-7-12(2)9-14(8-11)16(18)10-13-3-5-15(17)6-4-13/h3-9H,10H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-1-(3,5-dimethylphenyl)ethanone?
2-(4-bromophenyl)-1-(3,5-dimethylphenyl)ethanone has a molecular weight of 303.20 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(3,5-dimethylphenyl)ethanone is sourced from PubChem (CID 63411866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).