2-(2-bromo-4-fluorophenyl)-1-(2,3-dimethoxyphenyl)ethanone

C16H14BrFO3 — CID 105089542

IUPAC2-(2-bromo-4-fluorophenyl)-1-(2,3-dimethoxyphenyl)ethanone
SMILESCOc1cccc(C(=O)Cc2ccc(F)cc2Br)c1OC
InChIInChI=1S/C16H14BrFO3/c1-20-15-5-3-4-12(16(15)21-2)14(19)8-10-6-7-11(18)9-13(10)17/h3-7,9H,8H2,1-2H3
InChIKeyQTIGLJGGJUSSNK-UHFFFAOYSA-N
MW353.19 g/mol
LogP4.03
Rot. Bonds5

About 2-(2-bromo-4-fluorophenyl)-1-(2,3-dimethoxyphenyl)ethanone

2-(2-bromo-4-fluorophenyl)-1-(2,3-dimethoxyphenyl)ethanone (PubChem CID 105089542) has the molecular formula C16H14BrFO3 and a molecular weight of 353.19 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-1-(2,3-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-1-(2,3-dimethoxyphenyl)ethanone
PubChem CID105089542
Molecular FormulaC16H14BrFO3
Molecular Weight353.19 g/mol
Exact Mass352.01
IUPAC Name2-(2-bromo-4-fluorophenyl)-1-(2,3-dimethoxyphenyl)ethanone
SMILESCOc1cccc(C(=O)Cc2ccc(F)cc2Br)c1OC
InChIInChI=1S/C16H14BrFO3/c1-20-15-5-3-4-12(16(15)21-2)14(19)8-10-6-7-11(18)9-13(10)17/h3-7,9H,8H2,1-2H3
InChIKeyQTIGLJGGJUSSNK-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-(3,5-difluorophenyl)-1-(2,3-dimethoxyphenyl)ethanone
CID 105412160
2-(2-bromo-4-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone
CID 114968000
1-(2-bromo-5-fluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 115800218
2-(2,3-dichlorophenyl)-1-(2,3-dimethoxyphenyl)ethanone
CID 107311518
1-(2-bromo-4-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanone
CID 114968625
1-(2,3-dimethoxyphenyl)-2-(4-methylphenyl)ethanone
CID 61079926
1-(2,5-difluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 104793432
2-(2-bromo-5-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone
CID 114968175
2-bromo-N-[(2,3-dimethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide
CID 18112106
2-(2-bromo-4-fluorophenyl)-1-(3-bromophenyl)ethanone
CID 63411397
1-(2,3-dimethoxyphenyl)-2-(5-ethylthiophen-2-yl)ethanone
CID 105089222
1-(2-bromo-4-fluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 61078965

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(2,3-dimethoxyphenyl)ethanone?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(2,3-dimethoxyphenyl)ethanone (CID 105089542) is 2-(2-bromo-4-fluorophenyl)-1-(2,3-dimethoxyphenyl)ethanone.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-1-(2,3-dimethoxyphenyl)ethanone?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-1-(2,3-dimethoxyphenyl)ethanone is COc1cccc(C(=O)Cc2ccc(F)cc2Br)c1OC.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-1-(2,3-dimethoxyphenyl)ethanone?
The InChIKey is QTIGLJGGJUSSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFO3/c1-20-15-5-3-4-12(16(15)21-2)14(19)8-10-6-7-11(18)9-13(10)17/h3-7,9H,8H2,1-2H3.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-1-(2,3-dimethoxyphenyl)ethanone?
2-(2-bromo-4-fluorophenyl)-1-(2,3-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-(2,3-dimethoxyphenyl)ethanone is sourced from PubChem (CID 105089542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).