2-(4-bromophenyl)-1-(3-fluoro-4-methylphenyl)ethanone

C15H12BrFO — CID 60797592

IUPAC2-(4-bromophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)Cc2ccc(Br)cc2)cc1F
InChIInChI=1S/C15H12BrFO/c1-10-2-5-12(9-14(10)17)15(18)8-11-3-6-13(16)7-4-11/h2-7,9H,8H2,1H3
InChIKeyLQQSOMVHOHCQCQ-UHFFFAOYSA-N
MW307.16 g/mol
LogP4.32
Rot. Bonds3

About 2-(4-bromophenyl)-1-(3-fluoro-4-methylphenyl)ethanone

2-(4-bromophenyl)-1-(3-fluoro-4-methylphenyl)ethanone (PubChem CID 60797592) has the molecular formula C15H12BrFO and a molecular weight of 307.16 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(3-fluoro-4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
PubChem CID60797592
Molecular FormulaC15H12BrFO
Molecular Weight307.16 g/mol
Exact Mass306.01
IUPAC Name2-(4-bromophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)Cc2ccc(Br)cc2)cc1F
InChIInChI=1S/C15H12BrFO/c1-10-2-5-12(9-14(10)17)15(18)8-11-3-6-13(16)7-4-11/h2-7,9H,8H2,1H3
InChIKeyLQQSOMVHOHCQCQ-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

2-(4-aminophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 107129670
2-(4-bromophenyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanone
CID 65299177
2-(4-bromophenyl)-1-(3-methoxy-4-methylphenyl)ethanone
CID 61055896
2-(4-bromophenyl)-1-(4-chloro-3-methylphenyl)ethanone
CID 113397199
2-(2-bromophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 54919565
2-(4-bromophenyl)-1-(3,5-dimethylphenyl)ethanone
CID 63411866
2-(4-bromophenyl)-1-(3,5-difluorophenyl)ethanone
CID 61055894
2-(4-ethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 63409758
1-(4-bromophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373145
1-(3-chloro-4-methylphenyl)-2-(4-fluorophenyl)ethanone
CID 63194906
2-(2,3-difluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 62622276
2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 62551978

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(3-fluoro-4-methylphenyl)ethanone?
The IUPAC name of 2-(4-bromophenyl)-1-(3-fluoro-4-methylphenyl)ethanone (CID 60797592) is 2-(4-bromophenyl)-1-(3-fluoro-4-methylphenyl)ethanone.
What is the SMILES notation for 2-(4-bromophenyl)-1-(3-fluoro-4-methylphenyl)ethanone?
The canonical SMILES for 2-(4-bromophenyl)-1-(3-fluoro-4-methylphenyl)ethanone is Cc1ccc(C(=O)Cc2ccc(Br)cc2)cc1F.
What is the InChIKey of 2-(4-bromophenyl)-1-(3-fluoro-4-methylphenyl)ethanone?
The InChIKey is LQQSOMVHOHCQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO/c1-10-2-5-12(9-14(10)17)15(18)8-11-3-6-13(16)7-4-11/h2-7,9H,8H2,1H3.
What are the key properties of 2-(4-bromophenyl)-1-(3-fluoro-4-methylphenyl)ethanone?
2-(4-bromophenyl)-1-(3-fluoro-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-(4-bromophenyl)-1-(3-fluoro-4-methylphenyl)ethanone is sourced from PubChem (CID 60797592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).