2-(5-bromo-2-methoxyphenyl)-1-(2,4-difluorophenyl)ethanone

C15H11BrF2O2 — CID 63084863

IUPAC2-(5-bromo-2-methoxyphenyl)-1-(2,4-difluorophenyl)ethanone
SMILESCOc1ccc(Br)cc1CC(=O)c1ccc(F)cc1F
InChIInChI=1S/C15H11BrF2O2/c1-20-15-5-2-10(16)6-9(15)7-14(19)12-4-3-11(17)8-13(12)18/h2-6,8H,7H2,1H3
InChIKeyQTNARCRZGRMLMG-UHFFFAOYSA-N
MW341.15 g/mol
LogP4.16
Rot. Bonds4

About 2-(5-bromo-2-methoxyphenyl)-1-(2,4-difluorophenyl)ethanone

2-(5-bromo-2-methoxyphenyl)-1-(2,4-difluorophenyl)ethanone (PubChem CID 63084863) has the molecular formula C15H11BrF2O2 and a molecular weight of 341.15 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-1-(2,4-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-1-(2,4-difluorophenyl)ethanone
PubChem CID63084863
Molecular FormulaC15H11BrF2O2
Molecular Weight341.15 g/mol
Exact Mass339.99
IUPAC Name2-(5-bromo-2-methoxyphenyl)-1-(2,4-difluorophenyl)ethanone
SMILESCOc1ccc(Br)cc1CC(=O)c1ccc(F)cc1F
InChIInChI=1S/C15H11BrF2O2/c1-20-15-5-2-10(16)6-9(15)7-14(19)12-4-3-11(17)8-13(12)18/h2-6,8H,7H2,1H3
InChIKeyQTNARCRZGRMLMG-UHFFFAOYSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.15
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-amino-4-bromophenyl)-2-(5-bromo-2-methoxyphenyl)ethanone
CID 116591939
1-(2-amino-3-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanone
CID 116597773
1-(2-bromo-4-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanone
CID 114968625
1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanone
CID 63081738
2-(5-bromo-2-methoxyphenyl)-1-(2,4-dimethylphenyl)ethanone
CID 114964594
1-(4-bromo-2-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 114905857
2-(5-bromo-2-methoxyphenyl)-1-(2-chlorophenyl)ethanone
CID 62098415
N-(5-bromo-2-methoxyphenyl)-2,4-difluorobenzamide
CID 47317531
2-(5-bromo-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81274265
2-(5-bromo-2-methoxyphenyl)-1-(2,5-dimethylfuran-3-yl)ethanone
CID 114964598
1,2-bis(4-bromo-2-fluorophenyl)ethanone
CID 114905955
2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone
CID 114968478

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(2,4-difluorophenyl)ethanone?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(2,4-difluorophenyl)ethanone (CID 63084863) is 2-(5-bromo-2-methoxyphenyl)-1-(2,4-difluorophenyl)ethanone.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-1-(2,4-difluorophenyl)ethanone?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-1-(2,4-difluorophenyl)ethanone is COc1ccc(Br)cc1CC(=O)c1ccc(F)cc1F.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-1-(2,4-difluorophenyl)ethanone?
The InChIKey is QTNARCRZGRMLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF2O2/c1-20-15-5-2-10(16)6-9(15)7-14(19)12-4-3-11(17)8-13(12)18/h2-6,8H,7H2,1H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-1-(2,4-difluorophenyl)ethanone?
2-(5-bromo-2-methoxyphenyl)-1-(2,4-difluorophenyl)ethanone has a molecular weight of 341.15 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-1-(2,4-difluorophenyl)ethanone is sourced from PubChem (CID 63084863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).