2-(3-bromo-5-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethanone

C15H11Br2FO2 — CID 105118266

IUPAC2-(3-bromo-5-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethanone
SMILESCOc1ccc(Br)c(C(=O)Cc2cc(F)cc(Br)c2)c1
InChIInChI=1S/C15H11Br2FO2/c1-20-12-2-3-14(17)13(8-12)15(19)6-9-4-10(16)7-11(18)5-9/h2-5,7-8H,6H2,1H3
InChIKeyXWEARLFJSSULSG-UHFFFAOYSA-N
MW402.06 g/mol
LogP4.78
Rot. Bonds4

About 2-(3-bromo-5-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethanone

2-(3-bromo-5-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethanone (PubChem CID 105118266) has the molecular formula C15H11Br2FO2 and a molecular weight of 402.06 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethanone
PubChem CID105118266
Molecular FormulaC15H11Br2FO2
Molecular Weight402.06 g/mol
Exact Mass399.91
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethanone
SMILESCOc1ccc(Br)c(C(=O)Cc2cc(F)cc(Br)c2)c1
InChIInChI=1S/C15H11Br2FO2/c1-20-12-2-3-14(17)13(8-12)15(19)6-9-4-10(16)7-11(18)5-9/h2-5,7-8H,6H2,1H3
InChIKeyXWEARLFJSSULSG-UHFFFAOYSA-N
XLogP4.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.06
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-5-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone
CID 115786701
1-(2-bromo-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 61079528
1-(2-bromo-5-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 105086081
2-(3-bromo-5-fluorophenyl)-1-(2-methoxyphenyl)ethanone
CID 79702150
1-(2-bromo-5-methoxyphenyl)-2-(4-chloro-3-fluorophenyl)ethanone
CID 107890861
2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanone
CID 105405437
1-(3-bromo-5-fluorophenyl)-4-(4-methoxyphenyl)butan-2-one
CID 115786586
2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromophenyl)ethanone
CID 114973645
1-(2-bromo-5-methoxyphenyl)-2-(2,6-dimethylphenyl)ethanone
CID 105123568
2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanone
CID 115786719
1-(2-bromo-5-methoxyphenyl)-3-methylbutan-1-one
CID 83988112
2-(3-bromo-5-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethanone
CID 79702795

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethanone?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethanone (CID 105118266) is 2-(3-bromo-5-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethanone?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethanone is COc1ccc(Br)c(C(=O)Cc2cc(F)cc(Br)c2)c1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethanone?
The InChIKey is XWEARLFJSSULSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2FO2/c1-20-12-2-3-14(17)13(8-12)15(19)6-9-4-10(16)7-11(18)5-9/h2-5,7-8H,6H2,1H3.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethanone?
2-(3-bromo-5-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethanone has a molecular weight of 402.06 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethanone is sourced from PubChem (CID 105118266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).