1-(1-bromo-2-methylpropan-2-yl)oxy-4-methoxybenzene

C11H15BrO2 — CID 82089720

IUPAC1-(1-bromo-2-methylpropan-2-yl)oxy-4-methoxybenzene
SMILESCOc1ccc(OC(C)(C)CBr)cc1
InChIInChI=1S/C11H15BrO2/c1-11(2,8-12)14-10-6-4-9(13-3)5-7-10/h4-7H,8H2,1-3H3
InChIKeyRELWQZDVMZCBQJ-UHFFFAOYSA-N
MW259.14 g/mol
LogP3.25
Rot. Bonds4

About 1-(1-bromo-2-methylpropan-2-yl)oxy-4-methoxybenzene

1-(1-bromo-2-methylpropan-2-yl)oxy-4-methoxybenzene (PubChem CID 82089720) has the molecular formula C11H15BrO2 and a molecular weight of 259.14 g/mol. Its IUPAC name is 1-(1-bromo-2-methylpropan-2-yl)oxy-4-methoxybenzene.

Molecular Properties

Compound Name1-(1-bromo-2-methylpropan-2-yl)oxy-4-methoxybenzene
PubChem CID82089720
Molecular FormulaC11H15BrO2
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name1-(1-bromo-2-methylpropan-2-yl)oxy-4-methoxybenzene
SMILESCOc1ccc(OC(C)(C)CBr)cc1
InChIInChI=1S/C11H15BrO2/c1-11(2,8-12)14-10-6-4-9(13-3)5-7-10/h4-7H,8H2,1-3H3
InChIKeyRELWQZDVMZCBQJ-UHFFFAOYSA-N
XLogP3.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-4-(1-bromo-2-methylpropan-2-yl)oxybenzene
CID 68761219
1-methoxy-4-(2,4,4-trimethylhex-5-en-2-yloxy)benzene
CID 167065353
1-(1-bromo-1,2,2,2-tetrafluoroethoxy)-4-methoxybenzene
CID 155895177
1-(2,3-dibromo-1,1,1-trifluoropropan-2-yl)-4-methoxybenzene
CID 154711398
1-methoxy-4-[1-methoxy-1-(4-methoxyphenyl)ethyl]benzene
CID 100982680
1-(4-methoxyphenoxy)-2-methylpropan-2-amine
CID 18349748
1-methoxy-4-(2-methylbut-3-yn-2-yloxy)benzene
CID 11830222
1-(4-methoxyphenyl)-1-[4-(2-methylbutan-2-yloxy)phenyl]cyclododecane
CID 146482116
N-(bromomethyl)-1-(4-methoxyphenyl)methanamine
CID 115261836
ethane;1-fluoro-4-(2-methylbutan-2-yloxy)benzene
CID 144811052
2-(4-methoxyphenoxy)-2-methylpropanoate
CID 7645712
4-methoxy-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]aniline
CID 82535713

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromo-2-methylpropan-2-yl)oxy-4-methoxybenzene?
The IUPAC name of 1-(1-bromo-2-methylpropan-2-yl)oxy-4-methoxybenzene (CID 82089720) is 1-(1-bromo-2-methylpropan-2-yl)oxy-4-methoxybenzene.
What is the SMILES notation for 1-(1-bromo-2-methylpropan-2-yl)oxy-4-methoxybenzene?
The canonical SMILES for 1-(1-bromo-2-methylpropan-2-yl)oxy-4-methoxybenzene is COc1ccc(OC(C)(C)CBr)cc1.
What is the InChIKey of 1-(1-bromo-2-methylpropan-2-yl)oxy-4-methoxybenzene?
The InChIKey is RELWQZDVMZCBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO2/c1-11(2,8-12)14-10-6-4-9(13-3)5-7-10/h4-7H,8H2,1-3H3.
What are the key properties of 1-(1-bromo-2-methylpropan-2-yl)oxy-4-methoxybenzene?
1-(1-bromo-2-methylpropan-2-yl)oxy-4-methoxybenzene has a molecular weight of 259.14 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromo-2-methylpropan-2-yl)oxy-4-methoxybenzene is sourced from PubChem (CID 82089720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).