2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromophenyl)ethanone

C15H11Br3O2 — CID 114973645

IUPAC2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromophenyl)ethanone
SMILESCOc1ccc(Br)c(CC(=O)c2cc(Br)ccc2Br)c1
InChIInChI=1S/C15H11Br3O2/c1-20-11-3-5-13(17)9(6-11)7-15(19)12-8-10(16)2-4-14(12)18/h2-6,8H,7H2,1H3
InChIKeyNBLOEKYBSXUIAW-UHFFFAOYSA-N
MW462.96 g/mol
LogP5.41
Rot. Bonds4

About 2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromophenyl)ethanone

2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromophenyl)ethanone (PubChem CID 114973645) has the molecular formula C15H11Br3O2 and a molecular weight of 462.96 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromophenyl)ethanone.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromophenyl)ethanone
PubChem CID114973645
Molecular FormulaC15H11Br3O2
Molecular Weight462.96 g/mol
Exact Mass459.83
IUPAC Name2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromophenyl)ethanone
SMILESCOc1ccc(Br)c(CC(=O)c2cc(Br)ccc2Br)c1
InChIInChI=1S/C15H11Br3O2/c1-20-11-3-5-13(17)9(6-11)7-15(19)12-8-10(16)2-4-14(12)18/h2-6,8H,7H2,1H3
InChIKeyNBLOEKYBSXUIAW-UHFFFAOYSA-N
XLogP5.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.96
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-5-methoxyphenyl)-1-(2-bromo-5-methylphenyl)ethanone
CID 114973586
2-(2-bromo-5-methoxyphenyl)-1-(4-bromophenyl)ethanone
CID 65327862
2-(2-bromo-5-methoxyphenyl)-1-(3-chloro-2-methylphenyl)ethanone
CID 107101623
1-(4-bromo-3,5-dimethylphenyl)-2-(2-bromo-5-methoxyphenyl)ethanone
CID 114329747
1-(2-bromo-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 61079528
1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-one
CID 65327428
2-(2-bromo-5-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone
CID 114968175
2-(2-bromo-5-methoxyphenyl)-1-(cyclopenten-1-yl)ethanone
CID 103448107
1-(2-bromo-5-methoxyphenyl)-2-(2,6-dimethylphenyl)ethanone
CID 105123568
2-(3-bromo-5-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethanone
CID 105118266
(4-methoxyphenyl) 2,5-dibromobenzoate
CID 990766
1-(2-bromo-5-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 105086081

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromophenyl)ethanone?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromophenyl)ethanone (CID 114973645) is 2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromophenyl)ethanone.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromophenyl)ethanone?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromophenyl)ethanone is COc1ccc(Br)c(CC(=O)c2cc(Br)ccc2Br)c1.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromophenyl)ethanone?
The InChIKey is NBLOEKYBSXUIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br3O2/c1-20-11-3-5-13(17)9(6-11)7-15(19)12-8-10(16)2-4-14(12)18/h2-6,8H,7H2,1H3.
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromophenyl)ethanone?
2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromophenyl)ethanone has a molecular weight of 462.96 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromophenyl)ethanone is sourced from PubChem (CID 114973645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).