2-(3-bromo-5-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone

C16H14BrFO3 — CID 115786701

IUPAC2-(3-bromo-5-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2cc(F)cc(Br)c2)c(OC)c1
InChIInChI=1S/C16H14BrFO3/c1-20-13-3-4-14(16(9-13)21-2)15(19)7-10-5-11(17)8-12(18)6-10/h3-6,8-9H,7H2,1-2H3
InChIKeyMOWSXSFBMZMPDI-UHFFFAOYSA-N
MW353.19 g/mol
LogP4.03
Rot. Bonds5

About 2-(3-bromo-5-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone

2-(3-bromo-5-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone (PubChem CID 115786701) has the molecular formula C16H14BrFO3 and a molecular weight of 353.19 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone
PubChem CID115786701
Molecular FormulaC16H14BrFO3
Molecular Weight353.19 g/mol
Exact Mass352.01
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2cc(F)cc(Br)c2)c(OC)c1
InChIInChI=1S/C16H14BrFO3/c1-20-13-3-4-14(16(9-13)21-2)15(19)7-10-5-11(17)8-12(18)6-10/h3-6,8-9H,7H2,1-2H3
InChIKeyMOWSXSFBMZMPDI-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-bromo-5-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethanone
CID 105118266
2-(3-bromo-5-fluorophenyl)-1-(2-methoxyphenyl)ethanone
CID 79702150
2-(2-bromo-5-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone
CID 114968175
2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanone
CID 105405437
2-(2-bromo-4-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone
CID 114968000
1-(4-bromo-2-methoxyphenyl)-2-(4-methoxyphenyl)ethanone
CID 115369376
2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanone
CID 115786719
1-(3-bromo-5-fluorophenyl)-4-(4-methoxyphenyl)butan-2-one
CID 115786586
1-(2,4-dimethoxyphenyl)-2-(3-methylphenyl)ethanone
CID 62387371
1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanone
CID 114963290
2-(3-bromo-5-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethanone
CID 79702795
2-(5-bromothiophen-2-yl)-1-(2,4-dimethoxyphenyl)ethanone
CID 114967385

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone (CID 115786701) is 2-(3-bromo-5-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone is COc1ccc(C(=O)Cc2cc(F)cc(Br)c2)c(OC)c1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone?
The InChIKey is MOWSXSFBMZMPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFO3/c1-20-13-3-4-14(16(9-13)21-2)15(19)7-10-5-11(17)8-12(18)6-10/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone?
2-(3-bromo-5-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-(3-bromo-5-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone is sourced from PubChem (CID 115786701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).