1-(4-bromo-2-methoxyphenyl)-2-(4-methoxyphenyl)ethanone

C16H15BrO3 — CID 115369376

IUPAC1-(4-bromo-2-methoxyphenyl)-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2ccc(Br)cc2OC)cc1
InChIInChI=1S/C16H15BrO3/c1-19-13-6-3-11(4-7-13)9-15(18)14-8-5-12(17)10-16(14)20-2/h3-8,10H,9H2,1-2H3
InChIKeyJQCYQLZNZLKUIW-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.89
Rot. Bonds5

About 1-(4-bromo-2-methoxyphenyl)-2-(4-methoxyphenyl)ethanone

1-(4-bromo-2-methoxyphenyl)-2-(4-methoxyphenyl)ethanone (PubChem CID 115369376) has the molecular formula C16H15BrO3 and a molecular weight of 335.20 g/mol. Its IUPAC name is 1-(4-bromo-2-methoxyphenyl)-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-bromo-2-methoxyphenyl)-2-(4-methoxyphenyl)ethanone
PubChem CID115369376
Molecular FormulaC16H15BrO3
Molecular Weight335.20 g/mol
Exact Mass334.02
IUPAC Name1-(4-bromo-2-methoxyphenyl)-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2ccc(Br)cc2OC)cc1
InChIInChI=1S/C16H15BrO3/c1-19-13-6-3-11(4-7-13)9-15(18)14-8-5-12(17)10-16(14)20-2/h3-8,10H,9H2,1-2H3
InChIKeyJQCYQLZNZLKUIW-UHFFFAOYSA-N
XLogP3.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one
CID 114974372
1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanone
CID 114963290
1-(4-bromo-2,5-dimethoxyphenyl)-2-(4-bromophenyl)ethanone
CID 105056472
2-(3-bromo-5-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone
CID 115786701
2-(4-bromophenyl)-1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 91871425
1-(4-bromo-2-methoxyphenyl)-2-(2-methylphenyl)ethanone
CID 113296084
ethane;1-(5-fluoro-2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone
CID 144761231
2-(4-bromophenyl)-1-(4,5-dimethoxy-2-methylphenyl)ethanone
CID 43626572
1-(4-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)ethanone
CID 63526993
2-(3-bromophenyl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 106790334
4-bromo-2-[(4-methoxyphenyl)methyl]benzamide
CID 68508127
1-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)ethanone
CID 43167322

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methoxyphenyl)-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 1-(4-bromo-2-methoxyphenyl)-2-(4-methoxyphenyl)ethanone (CID 115369376) is 1-(4-bromo-2-methoxyphenyl)-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(4-bromo-2-methoxyphenyl)-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-(4-bromo-2-methoxyphenyl)-2-(4-methoxyphenyl)ethanone is COc1ccc(CC(=O)c2ccc(Br)cc2OC)cc1.
What is the InChIKey of 1-(4-bromo-2-methoxyphenyl)-2-(4-methoxyphenyl)ethanone?
The InChIKey is JQCYQLZNZLKUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO3/c1-19-13-6-3-11(4-7-13)9-15(18)14-8-5-12(17)10-16(14)20-2/h3-8,10H,9H2,1-2H3.
What are the key properties of 1-(4-bromo-2-methoxyphenyl)-2-(4-methoxyphenyl)ethanone?
1-(4-bromo-2-methoxyphenyl)-2-(4-methoxyphenyl)ethanone has a molecular weight of 335.20 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methoxyphenyl)-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 115369376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).