2-(5-bromo-2-methoxyphenyl)-1-(4-bromo-3-methylphenyl)ethanone

C16H14Br2O2 — CID 114964515

IUPAC2-(5-bromo-2-methoxyphenyl)-1-(4-bromo-3-methylphenyl)ethanone
SMILESCOc1ccc(Br)cc1CC(=O)c1ccc(Br)c(C)c1
InChIInChI=1S/C16H14Br2O2/c1-10-7-11(3-5-14(10)18)15(19)9-12-8-13(17)4-6-16(12)20-2/h3-8H,9H2,1-2H3
InChIKeyXBQBGIKNWATROF-UHFFFAOYSA-N
MW398.09 g/mol
LogP4.95
Rot. Bonds4

About 2-(5-bromo-2-methoxyphenyl)-1-(4-bromo-3-methylphenyl)ethanone

2-(5-bromo-2-methoxyphenyl)-1-(4-bromo-3-methylphenyl)ethanone (PubChem CID 114964515) has the molecular formula C16H14Br2O2 and a molecular weight of 398.09 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-1-(4-bromo-3-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-1-(4-bromo-3-methylphenyl)ethanone
PubChem CID114964515
Molecular FormulaC16H14Br2O2
Molecular Weight398.09 g/mol
Exact Mass395.94
IUPAC Name2-(5-bromo-2-methoxyphenyl)-1-(4-bromo-3-methylphenyl)ethanone
SMILESCOc1ccc(Br)cc1CC(=O)c1ccc(Br)c(C)c1
InChIInChI=1S/C16H14Br2O2/c1-10-7-11(3-5-14(10)18)15(19)9-12-8-13(17)4-6-16(12)20-2/h3-8H,9H2,1-2H3
InChIKeyXBQBGIKNWATROF-UHFFFAOYSA-N
XLogP4.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.09
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-methoxyphenyl)-1-(2,4-dimethylphenyl)ethanone
CID 114964594
1-[4-(2-aminoethyl)phenyl]-2-(5-bromo-2-methoxyphenyl)ethanone
CID 116577782
1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylphenyl)ethanone
CID 63490270
2-(4-bromophenyl)-1-(3-methoxy-4-methylphenyl)ethanone
CID 61055896
1-(2-amino-4-bromophenyl)-2-(5-bromo-2-methoxyphenyl)ethanone
CID 116591939
2-(5-bromo-2-methoxyphenyl)-1-(2,5-dimethylfuran-3-yl)ethanone
CID 114964598
1-(5-bromo-2-methoxyphenyl)-3-(3,4-dimethylphenyl)propan-2-one
CID 63410576
2-(5-bromo-2-methoxyphenyl)-1-(2-chlorophenyl)ethanone
CID 62098415
1-(5-bromofuran-2-yl)-2-(5-bromo-2-methoxyphenyl)ethanone
CID 114964535
1-(4-bromophenyl)-2-(2-methoxyphenyl)ethanone
CID 43160435
1-(3-amino-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 116551055
2-(5-bromo-2-methoxyphenyl)-1-(2,4-difluorophenyl)ethanone
CID 63084863

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(4-bromo-3-methylphenyl)ethanone?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(4-bromo-3-methylphenyl)ethanone (CID 114964515) is 2-(5-bromo-2-methoxyphenyl)-1-(4-bromo-3-methylphenyl)ethanone.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-1-(4-bromo-3-methylphenyl)ethanone?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-1-(4-bromo-3-methylphenyl)ethanone is COc1ccc(Br)cc1CC(=O)c1ccc(Br)c(C)c1.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-1-(4-bromo-3-methylphenyl)ethanone?
The InChIKey is XBQBGIKNWATROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2O2/c1-10-7-11(3-5-14(10)18)15(19)9-12-8-13(17)4-6-16(12)20-2/h3-8H,9H2,1-2H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-1-(4-bromo-3-methylphenyl)ethanone?
2-(5-bromo-2-methoxyphenyl)-1-(4-bromo-3-methylphenyl)ethanone has a molecular weight of 398.09 g/mol, XLogP of 4.95, 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-(4-bromo-3-methylphenyl)ethanone is sourced from PubChem (CID 114964515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).