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

C16H14BrFO — CID 65299177

IUPAC2-(4-bromophenyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanone
SMILESCc1cc(C(=O)Cc2ccc(Br)cc2)cc(C)c1F
InChIInChI=1S/C16H14BrFO/c1-10-7-13(8-11(2)16(10)18)15(19)9-12-3-5-14(17)6-4-12/h3-8H,9H2,1-2H3
InChIKeyAVVZHWYHVROYNC-UHFFFAOYSA-N
MW321.19 g/mol
LogP4.63
Rot. Bonds3

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

2-(4-bromophenyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanone (PubChem CID 65299177) has the molecular formula C16H14BrFO and a molecular weight of 321.19 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanone
PubChem CID65299177
Molecular FormulaC16H14BrFO
Molecular Weight321.19 g/mol
Exact Mass320.02
IUPAC Name2-(4-bromophenyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanone
SMILESCc1cc(C(=O)Cc2ccc(Br)cc2)cc(C)c1F
InChIInChI=1S/C16H14BrFO/c1-10-7-13(8-11(2)16(10)18)15(19)9-12-3-5-14(17)6-4-12/h3-8H,9H2,1-2H3
InChIKeyAVVZHWYHVROYNC-UHFFFAOYSA-N
XLogP4.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.19
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,4-dimethylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanone
CID 65299275
2-(4-bromophenyl)-1-(3,5-difluorophenyl)ethanone
CID 61055894
2-(4-bromophenyl)-1-(3,5-dimethylphenyl)ethanone
CID 63411866
2-(4-bromophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 60797592
2-(4-bromophenyl)-1-(4-chloro-3-methylphenyl)ethanone
CID 113397199
2-(4-bromophenyl)-1-(3-methoxy-4-methylphenyl)ethanone
CID 61055896
1-(4-bromo-3,5-dimethylphenyl)-2-(4-ethylphenyl)ethanone
CID 114329542
1-(3-bromo-5-fluorophenyl)-2-(4-methylphenyl)ethanone
CID 61078086
1-(3-bromophenyl)-2-(4-bromophenyl)ethanone
CID 55026809
1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethanone
CID 54980088
2-(4-bromophenyl)-1-(4,5-dimethoxy-2-methylphenyl)ethanone
CID 43626572
1-(4-bromophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373145

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanone?
The IUPAC name of 2-(4-bromophenyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanone (CID 65299177) is 2-(4-bromophenyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(4-bromophenyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanone?
The canonical SMILES for 2-(4-bromophenyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanone is Cc1cc(C(=O)Cc2ccc(Br)cc2)cc(C)c1F.
What is the InChIKey of 2-(4-bromophenyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanone?
The InChIKey is AVVZHWYHVROYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFO/c1-10-7-13(8-11(2)16(10)18)15(19)9-12-3-5-14(17)6-4-12/h3-8H,9H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanone?
2-(4-bromophenyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanone has a molecular weight of 321.19 g/mol, XLogP of 4.63, 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-(4-fluoro-3,5-dimethylphenyl)ethanone is sourced from PubChem (CID 65299177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).