2,4-dibromo-1-(2-methoxypropan-2-yloxymethyl)benzene

C11H14Br2O2 — CID 58555131

IUPAC2,4-dibromo-1-(2-methoxypropan-2-yloxymethyl)benzene
SMILESCOC(C)(C)OCc1ccc(Br)cc1Br
InChIInChI=1S/C11H14Br2O2/c1-11(2,14-3)15-7-8-4-5-9(12)6-10(8)13/h4-6H,7H2,1-3H3
InChIKeyOBRFLJMWDIKZJU-UHFFFAOYSA-N
MW338.04 g/mol
LogP4.11
Rot. Bonds4

About 2,4-dibromo-1-(2-methoxypropan-2-yloxymethyl)benzene

2,4-dibromo-1-(2-methoxypropan-2-yloxymethyl)benzene (PubChem CID 58555131) has the molecular formula C11H14Br2O2 and a molecular weight of 338.04 g/mol. Its IUPAC name is 2,4-dibromo-1-(2-methoxypropan-2-yloxymethyl)benzene.

Molecular Properties

Compound Name2,4-dibromo-1-(2-methoxypropan-2-yloxymethyl)benzene
PubChem CID58555131
Molecular FormulaC11H14Br2O2
Molecular Weight338.04 g/mol
Exact Mass335.94
IUPAC Name2,4-dibromo-1-(2-methoxypropan-2-yloxymethyl)benzene
SMILESCOC(C)(C)OCc1ccc(Br)cc1Br
InChIInChI=1S/C11H14Br2O2/c1-11(2,14-3)15-7-8-4-5-9(12)6-10(8)13/h4-6H,7H2,1-3H3
InChIKeyOBRFLJMWDIKZJU-UHFFFAOYSA-N
XLogP4.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.04
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-Bromo-3-(dimethoxymethyl)benzene
CID 105395
2-(2-Bromophenyl)-1,3-dioxolane
CID 553534
2-(4-Bromophenyl)-2-methyl-1,3-dioxolane
CID 614920
1-Bromo-4-(dimethoxymethyl)benzene
CID 688342
1-Bromo-2-(diethoxymethyl)benzene
CID 3482778
1-Bromo-4-(1-methoxyethyl)benzene
CID 10965890
1-Bromo-2-(dimethoxymethyl)benzene
CID 11148943
4-Bromobenzyl methyl ether
CID 12662296
1-Bromo-2-(methoxymethyl)benzene
CID 12927162
2-Bromo-5-fluorobenzyl alcohol, tert.-butyl ether
CID 91730098
1-Bromo-4-(diethoxymethyl)benzene
CID 688340
1-Bromo-4-(ethoxymethyl)benzene
CID 598187

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-1-(2-methoxypropan-2-yloxymethyl)benzene?
The IUPAC name of 2,4-dibromo-1-(2-methoxypropan-2-yloxymethyl)benzene (CID 58555131) is 2,4-dibromo-1-(2-methoxypropan-2-yloxymethyl)benzene.
What is the SMILES notation for 2,4-dibromo-1-(2-methoxypropan-2-yloxymethyl)benzene?
The canonical SMILES for 2,4-dibromo-1-(2-methoxypropan-2-yloxymethyl)benzene is COC(C)(C)OCc1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-1-(2-methoxypropan-2-yloxymethyl)benzene?
The InChIKey is OBRFLJMWDIKZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2O2/c1-11(2,14-3)15-7-8-4-5-9(12)6-10(8)13/h4-6H,7H2,1-3H3.
What are the key properties of 2,4-dibromo-1-(2-methoxypropan-2-yloxymethyl)benzene?
2,4-dibromo-1-(2-methoxypropan-2-yloxymethyl)benzene has a molecular weight of 338.04 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-1-(2-methoxypropan-2-yloxymethyl)benzene is sourced from PubChem (CID 58555131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).