4-bromo-1-(2-bromoethoxy)-2-methylbenzene

C9H10Br2O — CID 63216698

IUPAC4-bromo-1-(2-bromoethoxy)-2-methylbenzene
SMILESCc1cc(Br)ccc1OCCBr
InChIInChI=1S/C9H10Br2O/c1-7-6-8(11)2-3-9(7)12-5-4-10/h2-3,6H,4-5H2,1H3
InChIKeyAEOJYFZMCVGTDG-UHFFFAOYSA-N
MW293.99 g/mol
LogP3.53
Rot. Bonds3

About 4-bromo-1-(2-bromoethoxy)-2-methylbenzene

4-bromo-1-(2-bromoethoxy)-2-methylbenzene (PubChem CID 63216698) has the molecular formula C9H10Br2O and a molecular weight of 293.99 g/mol. Its IUPAC name is 4-bromo-1-(2-bromoethoxy)-2-methylbenzene.

Molecular Properties

Compound Name4-bromo-1-(2-bromoethoxy)-2-methylbenzene
PubChem CID63216698
Molecular FormulaC9H10Br2O
Molecular Weight293.99 g/mol
Exact Mass291.91
IUPAC Name4-bromo-1-(2-bromoethoxy)-2-methylbenzene
SMILESCc1cc(Br)ccc1OCCBr
InChIInChI=1S/C9H10Br2O/c1-7-6-8(11)2-3-9(7)12-5-4-10/h2-3,6H,4-5H2,1H3
InChIKeyAEOJYFZMCVGTDG-UHFFFAOYSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.99
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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2-[2-(4-bromo-2-methylphenoxy)ethoxy]aniline
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CID 63529292
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4-bromo-2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene
CID 63217061
3-(4-bromo-2-methylphenoxy)-N-propan-2-ylpropan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2-bromoethoxy)-2-methylbenzene?
The IUPAC name of 4-bromo-1-(2-bromoethoxy)-2-methylbenzene (CID 63216698) is 4-bromo-1-(2-bromoethoxy)-2-methylbenzene.
What is the SMILES notation for 4-bromo-1-(2-bromoethoxy)-2-methylbenzene?
The canonical SMILES for 4-bromo-1-(2-bromoethoxy)-2-methylbenzene is Cc1cc(Br)ccc1OCCBr.
What is the InChIKey of 4-bromo-1-(2-bromoethoxy)-2-methylbenzene?
The InChIKey is AEOJYFZMCVGTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Br2O/c1-7-6-8(11)2-3-9(7)12-5-4-10/h2-3,6H,4-5H2,1H3.
What are the key properties of 4-bromo-1-(2-bromoethoxy)-2-methylbenzene?
4-bromo-1-(2-bromoethoxy)-2-methylbenzene has a molecular weight of 293.99 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2-bromoethoxy)-2-methylbenzene is sourced from PubChem (CID 63216698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).