1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)ethanone

C16H14BrFO2 — CID 103394230

IUPAC1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)ethanone
SMILESCOc1cc(F)c(Br)cc1C(=O)Cc1ccc(C)cc1
InChIInChI=1S/C16H14BrFO2/c1-10-3-5-11(6-4-10)7-15(19)12-8-13(17)14(18)9-16(12)20-2/h3-6,8-9H,7H2,1-2H3
InChIKeyGBSBOPIXYBTWBW-UHFFFAOYSA-N
MW337.19 g/mol
LogP4.33
Rot. Bonds4

About 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)ethanone

1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)ethanone (PubChem CID 103394230) has the molecular formula C16H14BrFO2 and a molecular weight of 337.19 g/mol. Its IUPAC name is 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)ethanone
PubChem CID103394230
Molecular FormulaC16H14BrFO2
Molecular Weight337.19 g/mol
Exact Mass336.02
IUPAC Name1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)ethanone
SMILESCOc1cc(F)c(Br)cc1C(=O)Cc1ccc(C)cc1
InChIInChI=1S/C16H14BrFO2/c1-10-3-5-11(6-4-10)7-15(19)12-8-13(17)14(18)9-16(12)20-2/h3-6,8-9H,7H2,1-2H3
InChIKeyGBSBOPIXYBTWBW-UHFFFAOYSA-N
XLogP4.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 106790005
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(2,6-difluorophenyl)ethanone
CID 103394235
1-(4-bromo-2,5-dimethoxyphenyl)-2-(4-bromophenyl)ethanone
CID 105056472
1-(2-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)ethanone
CID 82808065
ethane;1-(5-fluoro-2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone
CID 144761231
1-(5-bromo-2-hydroxy-4-methoxyphenyl)-2-(4-hydroxyphenyl)ethanone
CID 58913124
1-(2,4-difluorophenyl)-2-(4-methylphenyl)ethanone
CID 43337683
1-(5-bromo-4-fluoro-2-methoxyphenyl)decan-1-one
CID 103394166
(5-bromo-4-fluoro-2-methoxyphenyl)-(5-bromofuran-2-yl)methanone
CID 103394164
2-(3-bromo-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)ethanone
CID 114964675
1-(2-bromo-5-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 105086081
2-amino-1-(4-bromo-5-fluoro-2-methoxyphenyl)ethanone
CID 84806885

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)ethanone (CID 103394230) is 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)ethanone is COc1cc(F)c(Br)cc1C(=O)Cc1ccc(C)cc1.
What is the InChIKey of 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)ethanone?
The InChIKey is GBSBOPIXYBTWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFO2/c1-10-3-5-11(6-4-10)7-15(19)12-8-13(17)14(18)9-16(12)20-2/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)ethanone?
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)ethanone has a molecular weight of 337.19 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 103394230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).