2-(2-bromo-4-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone

C16H14BrFO3 — CID 114968000

IUPAC2-(2-bromo-4-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2ccc(F)cc2Br)c(OC)c1
InChIInChI=1S/C16H14BrFO3/c1-20-12-5-6-13(16(9-12)21-2)15(19)7-10-3-4-11(18)8-14(10)17/h3-6,8-9H,7H2,1-2H3
InChIKeyXLHSOIFGSSXDCO-UHFFFAOYSA-N
MW353.19 g/mol
LogP4.03
Rot. Bonds5

About 2-(2-bromo-4-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone

2-(2-bromo-4-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone (PubChem CID 114968000) has the molecular formula C16H14BrFO3 and a molecular weight of 353.19 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone
PubChem CID114968000
Molecular FormulaC16H14BrFO3
Molecular Weight353.19 g/mol
Exact Mass352.01
IUPAC Name2-(2-bromo-4-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2ccc(F)cc2Br)c(OC)c1
InChIInChI=1S/C16H14BrFO3/c1-20-12-5-6-13(16(9-12)21-2)15(19)7-10-3-4-11(18)8-14(10)17/h3-6,8-9H,7H2,1-2H3
InChIKeyXLHSOIFGSSXDCO-UHFFFAOYSA-N
XLogP4.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-5-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone
CID 114968175
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-bromo-4-fluorobenzoate
CID 8837451
2-(2-bromo-4-fluorophenyl)-1-(2,3-dimethoxyphenyl)ethanone
CID 105089542
2-(3-bromo-5-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone
CID 115786701
2-(2,4-difluorophenoxy)-1-(2,4-dimethoxyphenyl)ethanone
CID 78790506
1-(2-bromo-4-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanone
CID 114968625
1-(2-bromo-4-fluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 61078965
2-(5-bromothiophen-2-yl)-1-(2,4-dimethoxyphenyl)ethanone
CID 114967385
(2,4-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339638
2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide
CID 18111776
1-(2-bromo-4-fluorophenyl)-2-(2-bromo-5-fluorophenyl)ethanone
CID 114968179
1-(2-bromo-5-fluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 115800218

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone (CID 114968000) is 2-(2-bromo-4-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone is COc1ccc(C(=O)Cc2ccc(F)cc2Br)c(OC)c1.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone?
The InChIKey is XLHSOIFGSSXDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFO3/c1-20-12-5-6-13(16(9-12)21-2)15(19)7-10-3-4-11(18)8-14(10)17/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone?
2-(2-bromo-4-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone has a molecular weight of 353.19 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone is sourced from PubChem (CID 114968000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).