1-(2-bromo-5-methoxyphenyl)-2-(4-chloro-3-fluorophenyl)ethanone

C15H11BrClFO2 — CID 107890861

IUPAC1-(2-bromo-5-methoxyphenyl)-2-(4-chloro-3-fluorophenyl)ethanone
SMILESCOc1ccc(Br)c(C(=O)Cc2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C15H11BrClFO2/c1-20-10-3-4-12(16)11(8-10)15(19)7-9-2-5-13(17)14(18)6-9/h2-6,8H,7H2,1H3
InChIKeyGRAKLOGAIGRJIG-UHFFFAOYSA-N
MW357.61 g/mol
LogP4.68
Rot. Bonds4

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

1-(2-bromo-5-methoxyphenyl)-2-(4-chloro-3-fluorophenyl)ethanone (PubChem CID 107890861) has the molecular formula C15H11BrClFO2 and a molecular weight of 357.61 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-2-(4-chloro-3-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-2-(4-chloro-3-fluorophenyl)ethanone
PubChem CID107890861
Molecular FormulaC15H11BrClFO2
Molecular Weight357.61 g/mol
Exact Mass355.96
IUPAC Name1-(2-bromo-5-methoxyphenyl)-2-(4-chloro-3-fluorophenyl)ethanone
SMILESCOc1ccc(Br)c(C(=O)Cc2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C15H11BrClFO2/c1-20-10-3-4-12(16)11(8-10)15(19)7-9-2-5-13(17)14(18)6-9/h2-6,8H,7H2,1H3
InChIKeyGRAKLOGAIGRJIG-UHFFFAOYSA-N
XLogP4.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.61
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 105086081
1-(2-bromo-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 61079528
2-(3-bromo-5-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethanone
CID 105118266
1-(2-bromo-4-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanone
CID 107890805
1-(4-chloro-2,5-difluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 82772175
2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromophenyl)ethanone
CID 114973645
1-(3-bromo-4-chlorophenyl)-2-(4-chloro-3-fluorophenyl)ethanone
CID 107884087
2-(4-chloro-3-fluorophenyl)-1-(2,3-dichlorophenyl)ethanone
CID 107890555
1-(4-chloro-2-fluorophenyl)-2-(4-methoxyphenyl)ethanone
CID 61055289
2-(2-bromo-5-methoxyphenyl)-1-(2-bromo-5-methylphenyl)ethanone
CID 114973586
2-(4-chloro-3-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanone
CID 107890538
2-(3-bromo-4-methoxyphenyl)-1-(2,5-dichlorophenyl)ethanone
CID 114964656

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-2-(4-chloro-3-fluorophenyl)ethanone?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-2-(4-chloro-3-fluorophenyl)ethanone (CID 107890861) is 1-(2-bromo-5-methoxyphenyl)-2-(4-chloro-3-fluorophenyl)ethanone.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-2-(4-chloro-3-fluorophenyl)ethanone?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-2-(4-chloro-3-fluorophenyl)ethanone is COc1ccc(Br)c(C(=O)Cc2ccc(Cl)c(F)c2)c1.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-2-(4-chloro-3-fluorophenyl)ethanone?
The InChIKey is GRAKLOGAIGRJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClFO2/c1-20-10-3-4-12(16)11(8-10)15(19)7-9-2-5-13(17)14(18)6-9/h2-6,8H,7H2,1H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-2-(4-chloro-3-fluorophenyl)ethanone?
1-(2-bromo-5-methoxyphenyl)-2-(4-chloro-3-fluorophenyl)ethanone has a molecular weight of 357.61 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-2-(4-chloro-3-fluorophenyl)ethanone is sourced from PubChem (CID 107890861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).