1-(4-bromo-2,5-dimethoxyphenyl)-2-(4-bromophenyl)ethanone

C16H14Br2O3 — CID 105056472

IUPAC1-(4-bromo-2,5-dimethoxyphenyl)-2-(4-bromophenyl)ethanone
SMILESCOc1cc(C(=O)Cc2ccc(Br)cc2)c(OC)cc1Br
InChIInChI=1S/C16H14Br2O3/c1-20-15-9-13(18)16(21-2)8-12(15)14(19)7-10-3-5-11(17)6-4-10/h3-6,8-9H,7H2,1-2H3
InChIKeyAUMLXMDEVPDTSP-UHFFFAOYSA-N
MW414.09 g/mol
LogP4.65
Rot. Bonds5

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

1-(4-bromo-2,5-dimethoxyphenyl)-2-(4-bromophenyl)ethanone (PubChem CID 105056472) has the molecular formula C16H14Br2O3 and a molecular weight of 414.09 g/mol. Its IUPAC name is 1-(4-bromo-2,5-dimethoxyphenyl)-2-(4-bromophenyl)ethanone.

Molecular Properties

Compound Name1-(4-bromo-2,5-dimethoxyphenyl)-2-(4-bromophenyl)ethanone
PubChem CID105056472
Molecular FormulaC16H14Br2O3
Molecular Weight414.09 g/mol
Exact Mass411.93
IUPAC Name1-(4-bromo-2,5-dimethoxyphenyl)-2-(4-bromophenyl)ethanone
SMILESCOc1cc(C(=O)Cc2ccc(Br)cc2)c(OC)cc1Br
InChIInChI=1S/C16H14Br2O3/c1-20-15-9-13(18)16(21-2)8-12(15)14(19)7-10-3-5-11(17)6-4-10/h3-6,8-9H,7H2,1-2H3
InChIKeyAUMLXMDEVPDTSP-UHFFFAOYSA-N
XLogP4.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.09
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-1-(4,5-dimethoxy-2-methylphenyl)ethanone
CID 43626572
1-(4-bromo-2-methoxyphenyl)-2-(4-methoxyphenyl)ethanone
CID 115369376
2-bromo-1-(4-bromo-2,5-dimethoxyphenyl)ethanone
CID 86014406
1-(5-bromo-2-hydroxy-4-methoxyphenyl)-2-(4-hydroxyphenyl)ethanone
CID 58913124
2-(3-bromo-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)ethanone
CID 114964675
2-phenyl-1-(2,4,5-trimethoxyphenyl)ethanone
CID 15228893
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)ethanone
CID 103394230
1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanone
CID 114963290
2-(4-bromophenyl)-1-(3-methoxy-4-methylphenyl)ethanone
CID 61055896
2-(3-bromo-4-methoxyphenyl)-1-(2,5-dichlorophenyl)ethanone
CID 114964656
1-(3-amino-2-methylphenyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 116604463
2-(4-bromophenyl)-1-(3-chloro-4-methoxyphenyl)ethanone
CID 43161702

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,5-dimethoxyphenyl)-2-(4-bromophenyl)ethanone?
The IUPAC name of 1-(4-bromo-2,5-dimethoxyphenyl)-2-(4-bromophenyl)ethanone (CID 105056472) is 1-(4-bromo-2,5-dimethoxyphenyl)-2-(4-bromophenyl)ethanone.
What is the SMILES notation for 1-(4-bromo-2,5-dimethoxyphenyl)-2-(4-bromophenyl)ethanone?
The canonical SMILES for 1-(4-bromo-2,5-dimethoxyphenyl)-2-(4-bromophenyl)ethanone is COc1cc(C(=O)Cc2ccc(Br)cc2)c(OC)cc1Br.
What is the InChIKey of 1-(4-bromo-2,5-dimethoxyphenyl)-2-(4-bromophenyl)ethanone?
The InChIKey is AUMLXMDEVPDTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2O3/c1-20-15-9-13(18)16(21-2)8-12(15)14(19)7-10-3-5-11(17)6-4-10/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 1-(4-bromo-2,5-dimethoxyphenyl)-2-(4-bromophenyl)ethanone?
1-(4-bromo-2,5-dimethoxyphenyl)-2-(4-bromophenyl)ethanone has a molecular weight of 414.09 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,5-dimethoxyphenyl)-2-(4-bromophenyl)ethanone is sourced from PubChem (CID 105056472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).