2-(2-bromo-2-methylpropyl)-1,4-dimethoxybenzene

C12H17BrO2 — CID 82255120

IUPAC2-(2-bromo-2-methylpropyl)-1,4-dimethoxybenzene
SMILESCOc1ccc(OC)c(CC(C)(C)Br)c1
InChIInChI=1S/C12H17BrO2/c1-12(2,13)8-9-7-10(14-3)5-6-11(9)15-4/h5-7H,8H2,1-4H3
InChIKeyZIJWTMKMDPGRMP-UHFFFAOYSA-N
MW273.17 g/mol
LogP3.42
Rot. Bonds4

About 2-(2-bromo-2-methylpropyl)-1,4-dimethoxybenzene

2-(2-bromo-2-methylpropyl)-1,4-dimethoxybenzene (PubChem CID 82255120) has the molecular formula C12H17BrO2 and a molecular weight of 273.17 g/mol. Its IUPAC name is 2-(2-bromo-2-methylpropyl)-1,4-dimethoxybenzene.

Molecular Properties

Compound Name2-(2-bromo-2-methylpropyl)-1,4-dimethoxybenzene
PubChem CID82255120
Molecular FormulaC12H17BrO2
Molecular Weight273.17 g/mol
Exact Mass272.04
IUPAC Name2-(2-bromo-2-methylpropyl)-1,4-dimethoxybenzene
SMILESCOc1ccc(OC)c(CC(C)(C)Br)c1
InChIInChI=1S/C12H17BrO2/c1-12(2,13)8-9-7-10(14-3)5-6-11(9)15-4/h5-7H,8H2,1-4H3
InChIKeyZIJWTMKMDPGRMP-UHFFFAOYSA-N
XLogP3.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 53.42
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-(2-bromo-2-methylpropyl)-2,4-dimethoxybenzene
CID 82255129
4-(2,5-dimethoxyphenyl)-3,3-dimethylbutan-1-amine
CID 94264025
3-(2,5-dimethoxyphenyl)-2,2-dimethylpropanethioamide
CID 82154660
2-[(2,5-dimethoxyphenyl)methyl]-2-ethylbutan-1-amine
CID 82111076
(3S)-4-(2,5-dimethoxyphenyl)-3-hydroxy-3-methylbutanal
CID 11447772
2-(3-bromobut-3-enyl)-1,4-dimethoxybenzene
CID 24721947
2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 115129677
1-(2,2-dimethylpropyl)-2,4-dimethoxybenzene;methane
CID 158953080
2-(ethoxymethyl)-1,4-dimethoxybenzene
CID 12068886
2-[2-[2-[2-[(2,5-dimethoxyphenyl)methoxy]ethoxy]ethoxy]ethoxymethyl]-1,4-dimethoxybenzene
CID 15109386
N,N,1,1,2,2-hexadeuterio-2-(2,5-dimethoxyphenyl)ethanamine
CID 71777141
1,4-dimethoxy-2-(nitrosomethyl)benzene
CID 143996904

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-2-methylpropyl)-1,4-dimethoxybenzene?
The IUPAC name of 2-(2-bromo-2-methylpropyl)-1,4-dimethoxybenzene (CID 82255120) is 2-(2-bromo-2-methylpropyl)-1,4-dimethoxybenzene.
What is the SMILES notation for 2-(2-bromo-2-methylpropyl)-1,4-dimethoxybenzene?
The canonical SMILES for 2-(2-bromo-2-methylpropyl)-1,4-dimethoxybenzene is COc1ccc(OC)c(CC(C)(C)Br)c1.
What is the InChIKey of 2-(2-bromo-2-methylpropyl)-1,4-dimethoxybenzene?
The InChIKey is ZIJWTMKMDPGRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO2/c1-12(2,13)8-9-7-10(14-3)5-6-11(9)15-4/h5-7H,8H2,1-4H3.
What are the key properties of 2-(2-bromo-2-methylpropyl)-1,4-dimethoxybenzene?
2-(2-bromo-2-methylpropyl)-1,4-dimethoxybenzene has a molecular weight of 273.17 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-2-methylpropyl)-1,4-dimethoxybenzene is sourced from PubChem (CID 82255120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).