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

C15H12BrFO — CID 79701233

IUPAC2-(3-bromo-5-fluorophenyl)-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)Cc2cc(F)cc(Br)c2)cc1
InChIInChI=1S/C15H12BrFO/c1-10-2-4-12(5-3-10)15(18)8-11-6-13(16)9-14(17)7-11/h2-7,9H,8H2,1H3
InChIKeyQPGOEQDUVLMNKO-UHFFFAOYSA-N
MW307.16 g/mol
LogP4.32
Rot. Bonds3

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

2-(3-bromo-5-fluorophenyl)-1-(4-methylphenyl)ethanone (PubChem CID 79701233) has the molecular formula C15H12BrFO and a molecular weight of 307.16 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-(4-methylphenyl)ethanone
PubChem CID79701233
Molecular FormulaC15H12BrFO
Molecular Weight307.16 g/mol
Exact Mass306.01
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)Cc2cc(F)cc(Br)c2)cc1
InChIInChI=1S/C15H12BrFO/c1-10-2-4-12(5-3-10)15(18)8-11-6-13(16)9-14(17)7-11/h2-7,9H,8H2,1H3
InChIKeyQPGOEQDUVLMNKO-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-bromo-5-fluorophenyl)-2-(4-methylphenyl)ethanone
CID 61078086
2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanone
CID 115786719
1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethanone
CID 54980088
1-(3-bromo-5-fluorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 63526829
2-(3-bromo-5-fluorophenyl)-1-(2-methoxyphenyl)ethanone
CID 79702150
2-(3-bromo-5-fluorophenyl)-1-(6-methyl-2-pyridinyl)ethanone
CID 79701083
2-(3-bromo-5-fluorophenyl)-1-quinolin-6-ylethanone
CID 79699269
2-(3,5-difluorophenyl)-1-(3-methylphenyl)ethanone
CID 54959513
2-(3,5-dibromophenyl)-1-[4-[4-[2-(3,5-dibromophenyl)acetyl]phenoxy]phenyl]ethanone
CID 68953241
1-(3-bromo-5-fluorophenyl)-3-methylbut-3-en-2-one
CID 103446397
2-(3-bromo-5-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethanone
CID 79702795
2-(3-bromo-5-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone
CID 105118265

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(4-methylphenyl)ethanone (CID 79701233) is 2-(3-bromo-5-fluorophenyl)-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-(4-methylphenyl)ethanone is Cc1ccc(C(=O)Cc2cc(F)cc(Br)c2)cc1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-(4-methylphenyl)ethanone?
The InChIKey is QPGOEQDUVLMNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO/c1-10-2-4-12(5-3-10)15(18)8-11-6-13(16)9-14(17)7-11/h2-7,9H,8H2,1H3.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-(4-methylphenyl)ethanone?
2-(3-bromo-5-fluorophenyl)-1-(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 2-(3-bromo-5-fluorophenyl)-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 79701233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).