1-bromo-4-(1-bromo-2-methylpropan-2-yl)oxybenzene

C10H12Br2O — CID 68761219

IUPAC1-bromo-4-(1-bromo-2-methylpropan-2-yl)oxybenzene
SMILESCC(C)(CBr)Oc1ccc(Br)cc1
InChIInChI=1S/C10H12Br2O/c1-10(2,7-11)13-9-5-3-8(12)4-6-9/h3-6H,7H2,1-2H3
InChIKeyJXOJFGFVGWYGIY-UHFFFAOYSA-N
MW308.01 g/mol
LogP4.00
Rot. Bonds3

About 1-bromo-4-(1-bromo-2-methylpropan-2-yl)oxybenzene

1-bromo-4-(1-bromo-2-methylpropan-2-yl)oxybenzene (PubChem CID 68761219) has the molecular formula C10H12Br2O and a molecular weight of 308.01 g/mol. Its IUPAC name is 1-bromo-4-(1-bromo-2-methylpropan-2-yl)oxybenzene.

Molecular Properties

Compound Name1-bromo-4-(1-bromo-2-methylpropan-2-yl)oxybenzene
PubChem CID68761219
Molecular FormulaC10H12Br2O
Molecular Weight308.01 g/mol
Exact Mass305.93
IUPAC Name1-bromo-4-(1-bromo-2-methylpropan-2-yl)oxybenzene
SMILESCC(C)(CBr)Oc1ccc(Br)cc1
InChIInChI=1S/C10H12Br2O/c1-10(2,7-11)13-9-5-3-8(12)4-6-9/h3-6H,7H2,1-2H3
InChIKeyJXOJFGFVGWYGIY-UHFFFAOYSA-N
XLogP4.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.01
LogP ≤ 54.00
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

1-(1-bromo-2-methylpropan-2-yl)oxy-4-methoxybenzene
CID 82089720
1-bromo-3-(1-bromo-2-methylpropan-2-yl)oxybenzene
CID 68762100
ethyl 2-amino-4-(4-bromophenoxy)-4-methylpentanoate
CID 116821214
3-(4-bromophenoxy)-3-methylbutan-2-ol
CID 57460956
1-(4-bromophenoxy)-1,1-difluoro-2-methylpropan-2-ol
CID 169242990
3-(4-bromophenoxy)-3-hydroxybutanoic acid
CID 22751463
1-bromo-4-[2-(bromomethyl)-2-ethylbutoxy]benzene
CID 64998409
1-(4-bromophenoxy)-2-methylpropan-2-ol
CID 21186342
ethane;1-fluoro-4-(2-methylbutan-2-yloxy)benzene
CID 144811052
2-(4-bromophenoxy)-2,2-difluoroethanol
CID 118664754
1-bromo-4-[2-(4-tert-butylphenoxy)ethoxy]benzene
CID 60627963
1-(2-methylbutan-2-yloxy)-4-[(2-methylpropan-2-yl)oxy]benzene
CID 167138182

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(1-bromo-2-methylpropan-2-yl)oxybenzene?
The IUPAC name of 1-bromo-4-(1-bromo-2-methylpropan-2-yl)oxybenzene (CID 68761219) is 1-bromo-4-(1-bromo-2-methylpropan-2-yl)oxybenzene.
What is the SMILES notation for 1-bromo-4-(1-bromo-2-methylpropan-2-yl)oxybenzene?
The canonical SMILES for 1-bromo-4-(1-bromo-2-methylpropan-2-yl)oxybenzene is CC(C)(CBr)Oc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-(1-bromo-2-methylpropan-2-yl)oxybenzene?
The InChIKey is JXOJFGFVGWYGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2O/c1-10(2,7-11)13-9-5-3-8(12)4-6-9/h3-6H,7H2,1-2H3.
What are the key properties of 1-bromo-4-(1-bromo-2-methylpropan-2-yl)oxybenzene?
1-bromo-4-(1-bromo-2-methylpropan-2-yl)oxybenzene has a molecular weight of 308.01 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(1-bromo-2-methylpropan-2-yl)oxybenzene is sourced from PubChem (CID 68761219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).