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

C15H12BrFO — CID 61078086

IUPAC1-(3-bromo-5-fluorophenyl)-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2cc(F)cc(Br)c2)cc1
InChIInChI=1S/C15H12BrFO/c1-10-2-4-11(5-3-10)6-15(18)12-7-13(16)9-14(17)8-12/h2-5,7-9H,6H2,1H3
InChIKeyPKVGMFXVDLQTOA-UHFFFAOYSA-N
MW307.16 g/mol
LogP4.32
Rot. Bonds3

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

1-(3-bromo-5-fluorophenyl)-2-(4-methylphenyl)ethanone (PubChem CID 61078086) has the molecular formula C15H12BrFO and a molecular weight of 307.16 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-2-(4-methylphenyl)ethanone
PubChem CID61078086
Molecular FormulaC15H12BrFO
Molecular Weight307.16 g/mol
Exact Mass306.01
IUPAC Name1-(3-bromo-5-fluorophenyl)-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2cc(F)cc(Br)c2)cc1
InChIInChI=1S/C15H12BrFO/c1-10-2-4-11(5-3-10)6-15(18)12-7-13(16)9-14(17)8-12/h2-5,7-9H,6H2,1H3
InChIKeyPKVGMFXVDLQTOA-UHFFFAOYSA-N
XLogP4.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.16
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethanone
CID 54980088
2-(3-bromo-5-fluorophenyl)-1-(4-methylphenyl)ethanone
CID 79701233
1-(3-bromo-5-fluorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 63526829
2-(4-bromophenyl)-1-(3,5-difluorophenyl)ethanone
CID 61055894
2-(4-bromophenyl)-1-(3,5-dimethylphenyl)ethanone
CID 63411866
1-(3-bromo-5-fluorophenyl)-2-(3-chlorophenyl)ethanone
CID 63526481
2-(4-bromophenyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanone
CID 65299177
1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethanone
CID 104735987
1-(3-bromo-5-fluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanone
CID 66423629
1-(3-bromo-5-methylphenyl)-2-(3,4-dimethylphenyl)ethanone
CID 104853112
2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanone
CID 115786719
1-(3-bromo-5-fluorophenyl)-2-(2,3-difluorophenyl)ethanone
CID 66425414

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-2-(4-methylphenyl)ethanone (CID 61078086) is 1-(3-bromo-5-fluorophenyl)-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-2-(4-methylphenyl)ethanone is Cc1ccc(CC(=O)c2cc(F)cc(Br)c2)cc1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-2-(4-methylphenyl)ethanone?
The InChIKey is PKVGMFXVDLQTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO/c1-10-2-4-11(5-3-10)6-15(18)12-7-13(16)9-14(17)8-12/h2-5,7-9H,6H2,1H3.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-2-(4-methylphenyl)ethanone?
1-(3-bromo-5-fluorophenyl)-2-(4-methylphenyl)ethanone has a molecular weight of 307.16 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 61078086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).