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

C15H11BrClFO2 — CID 114968625

IUPAC1-(2-bromo-4-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanone
SMILESCOc1ccc(Cl)cc1CC(=O)c1ccc(F)cc1Br
InChIInChI=1S/C15H11BrClFO2/c1-20-15-5-2-10(17)6-9(15)7-14(19)12-4-3-11(18)8-13(12)16/h2-6,8H,7H2,1H3
InChIKeyARHMEUNHYCYCJI-UHFFFAOYSA-N
MW357.61 g/mol
LogP4.68
Rot. Bonds4

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

1-(2-bromo-4-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanone (PubChem CID 114968625) has the molecular formula C15H11BrClFO2 and a molecular weight of 357.61 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanone
PubChem CID114968625
Molecular FormulaC15H11BrClFO2
Molecular Weight357.61 g/mol
Exact Mass355.96
IUPAC Name1-(2-bromo-4-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanone
SMILESCOc1ccc(Cl)cc1CC(=O)c1ccc(F)cc1Br
InChIInChI=1S/C15H11BrClFO2/c1-20-15-5-2-10(17)6-9(15)7-14(19)12-4-3-11(18)8-13(12)16/h2-6,8H,7H2,1H3
InChIKeyARHMEUNHYCYCJI-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-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanone
CID 63081738
1-(2-bromo-4-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 107996257
2-(5-bromo-2-methoxyphenyl)-1-(2,4-difluorophenyl)ethanone
CID 63084863
1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 114025529
2-bromo-N-(5-chloro-2-methoxyphenyl)-4-fluorobenzamide
CID 9191956
1-(2-bromo-4-fluorophenyl)-2-(2-bromo-5-fluorophenyl)ethanone
CID 114968179
1-(2-bromo-5-chlorophenyl)-2-(2-methoxyphenyl)ethanone
CID 114026782
1-(2-amino-3-methoxyphenyl)-2-(5-chloro-2-methoxyphenyl)ethanone
CID 107469152
2-(2-bromo-4-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone
CID 114968000
2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone
CID 114968478
2-(5-chloro-2-methoxyphenyl)-1-(2,3-dichlorophenyl)ethanone
CID 114968572
(2-bromo-5-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 104544915

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanone?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanone (CID 114968625) is 1-(2-bromo-4-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanone?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanone is COc1ccc(Cl)cc1CC(=O)c1ccc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanone?
The InChIKey is ARHMEUNHYCYCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClFO2/c1-20-15-5-2-10(17)6-9(15)7-14(19)12-4-3-11(18)8-13(12)16/h2-6,8H,7H2,1H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanone?
1-(2-bromo-4-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)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-4-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanone is sourced from PubChem (CID 114968625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).