2-bromo-1-(3-bromo-2,6-dimethoxyphenyl)ethanone

C10H10Br2O3 — CID 102137910

IUPAC2-bromo-1-(3-bromo-2,6-dimethoxyphenyl)ethanone
SMILESCOc1ccc(Br)c(OC)c1C(=O)CBr
InChIInChI=1S/C10H10Br2O3/c1-14-8-4-3-6(12)10(15-2)9(8)7(13)5-11/h3-4H,5H2,1-2H3
InChIKeyQNVMDLUEUMWNLG-UHFFFAOYSA-N
MW338.00 g/mol
LogP3.04
Rot. Bonds4

About 2-bromo-1-(3-bromo-2,6-dimethoxyphenyl)ethanone

2-bromo-1-(3-bromo-2,6-dimethoxyphenyl)ethanone (PubChem CID 102137910) has the molecular formula C10H10Br2O3 and a molecular weight of 338.00 g/mol. Its IUPAC name is 2-bromo-1-(3-bromo-2,6-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(3-bromo-2,6-dimethoxyphenyl)ethanone
PubChem CID102137910
Molecular FormulaC10H10Br2O3
Molecular Weight338.00 g/mol
Exact Mass335.90
IUPAC Name2-bromo-1-(3-bromo-2,6-dimethoxyphenyl)ethanone
SMILESCOc1ccc(Br)c(OC)c1C(=O)CBr
InChIInChI=1S/C10H10Br2O3/c1-14-8-4-3-6(12)10(15-2)9(8)7(13)5-11/h3-4H,5H2,1-2H3
InChIKeyQNVMDLUEUMWNLG-UHFFFAOYSA-N
XLogP3.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.00
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-1-(3-bromo-4-methoxyphenyl)ethanone
CID 2756849
6-bromo-2,3-dimethoxybenzoic acid
CID 11054430
2-bromo-1-(3-chloro-2-fluoro-6-methoxyphenyl)ethanone
CID 171007152
1-(3-bromo-2-methoxy-6-methylphenyl)-2-chloroethanone
CID 171004605
(3-bromo-2,6-dimethoxyphenyl) acetate
CID 91102883
2-(2-bromoacetyl)-3-methoxy-6-methylbenzaldehyde
CID 171022450
2-bromo-1-(2-chloro-6-fluoro-3-methoxyphenyl)ethanone
CID 171007000
1,3-dibromo-2,4-dimethoxybenzene
CID 11645053
1-(3-bromo-2,5,6-trimethoxyphenyl)ethanone
CID 117466723
2-bromo-1-(2,6-difluoro-3,5-dimethoxyphenyl)ethanone
CID 151539993
(3-bromo-2-methoxy-6-methylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone
CID 18185404
1,4-dibromo-2,3-dimethoxybenzene
CID 15784959

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(3-bromo-2,6-dimethoxyphenyl)ethanone?
The IUPAC name of 2-bromo-1-(3-bromo-2,6-dimethoxyphenyl)ethanone (CID 102137910) is 2-bromo-1-(3-bromo-2,6-dimethoxyphenyl)ethanone.
What is the SMILES notation for 2-bromo-1-(3-bromo-2,6-dimethoxyphenyl)ethanone?
The canonical SMILES for 2-bromo-1-(3-bromo-2,6-dimethoxyphenyl)ethanone is COc1ccc(Br)c(OC)c1C(=O)CBr.
What is the InChIKey of 2-bromo-1-(3-bromo-2,6-dimethoxyphenyl)ethanone?
The InChIKey is QNVMDLUEUMWNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2O3/c1-14-8-4-3-6(12)10(15-2)9(8)7(13)5-11/h3-4H,5H2,1-2H3.
What are the key properties of 2-bromo-1-(3-bromo-2,6-dimethoxyphenyl)ethanone?
2-bromo-1-(3-bromo-2,6-dimethoxyphenyl)ethanone has a molecular weight of 338.00 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(3-bromo-2,6-dimethoxyphenyl)ethanone is sourced from PubChem (CID 102137910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).