1-(3-bromo-4-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanone

C16H14BrFO — CID 105376772

IUPAC1-(3-bromo-4-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanone
SMILESCc1ccc(C(=O)Cc2cc(F)ccc2C)cc1Br
InChIInChI=1S/C16H14BrFO/c1-10-4-6-14(18)7-13(10)9-16(19)12-5-3-11(2)15(17)8-12/h3-8H,9H2,1-2H3
InChIKeySAFXVAYQUGMEOP-UHFFFAOYSA-N
MW321.19 g/mol
LogP4.63
Rot. Bonds3

About 1-(3-bromo-4-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanone

1-(3-bromo-4-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanone (PubChem CID 105376772) has the molecular formula C16H14BrFO and a molecular weight of 321.19 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanone
PubChem CID105376772
Molecular FormulaC16H14BrFO
Molecular Weight321.19 g/mol
Exact Mass320.02
IUPAC Name1-(3-bromo-4-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanone
SMILESCc1ccc(C(=O)Cc2cc(F)ccc2C)cc1Br
InChIInChI=1S/C16H14BrFO/c1-10-4-6-14(18)7-13(10)9-16(19)12-5-3-11(2)15(17)8-12/h3-8H,9H2,1-2H3
InChIKeySAFXVAYQUGMEOP-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

Analyze 1-(3-bromo-4-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373145
1-(2-bromo-5-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376889
1-(4-ethylphenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373157
1-(4-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373147
1-(4-bromo-3,5-dimethylphenyl)-2-(2-bromo-5-fluorophenyl)ethanone
CID 114329547
2-(5-fluoro-2-methylphenyl)-1-pyridin-4-ylethanone
CID 105373154
2-(2,5-dimethylphenyl)-1-(4-fluorophenyl)ethanone
CID 54958156
(3-bromo-4-methylphenyl)-(4-fluorophenyl)methanone
CID 79020160
2-(5-fluoro-2-methylphenyl)-1-thiophen-3-ylethanone
CID 105373155
1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylphenyl)ethanone
CID 63490270
2-(5-fluoro-2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 105373149
1-(2-bromo-4-fluorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 63527175

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanone?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanone (CID 105376772) is 1-(3-bromo-4-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanone.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanone?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanone is Cc1ccc(C(=O)Cc2cc(F)ccc2C)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanone?
The InChIKey is SAFXVAYQUGMEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFO/c1-10-4-6-14(18)7-13(10)9-16(19)12-5-3-11(2)15(17)8-12/h3-8H,9H2,1-2H3.
What are the key properties of 1-(3-bromo-4-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanone?
1-(3-bromo-4-methylphenyl)-2-(5-fluoro-2-methylphenyl)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 1-(3-bromo-4-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanone is sourced from PubChem (CID 105376772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).