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

C12H17BrO2 — CID 82255129

IUPAC1-(2-bromo-2-methylpropyl)-2,4-dimethoxybenzene
SMILESCOc1ccc(CC(C)(C)Br)c(OC)c1
InChIInChI=1S/C12H17BrO2/c1-12(2,13)8-9-5-6-10(14-3)7-11(9)15-4/h5-7H,8H2,1-4H3
InChIKeyYGBFTWFVJGAPHW-UHFFFAOYSA-N
MW273.17 g/mol
LogP3.42
Rot. Bonds4

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

1-(2-bromo-2-methylpropyl)-2,4-dimethoxybenzene (PubChem CID 82255129) has the molecular formula C12H17BrO2 and a molecular weight of 273.17 g/mol. Its IUPAC name is 1-(2-bromo-2-methylpropyl)-2,4-dimethoxybenzene.

Molecular Properties

Compound Name1-(2-bromo-2-methylpropyl)-2,4-dimethoxybenzene
PubChem CID82255129
Molecular FormulaC12H17BrO2
Molecular Weight273.17 g/mol
Exact Mass272.04
IUPAC Name1-(2-bromo-2-methylpropyl)-2,4-dimethoxybenzene
SMILESCOc1ccc(CC(C)(C)Br)c(OC)c1
InChIInChI=1S/C12H17BrO2/c1-12(2,13)8-9-5-6-10(14-3)7-11(9)15-4/h5-7H,8H2,1-4H3
InChIKeyYGBFTWFVJGAPHW-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

2-(2-bromo-2-methylpropyl)-1,4-dimethoxybenzene
CID 82255120
1-(2,2-dimethylpropyl)-2,4-dimethoxybenzene;methane
CID 158953080
1-[3-(2,4-dimethoxyphenyl)-2-fluoro-2-methylpropyl]-2,4-dimethoxybenzene
CID 175463366
2-[(2,4-dimethoxyphenyl)methyl]-2-methylpropane-1,3-diol
CID 94687748
(2S)-2-amino-3-(2,4-dimethoxyphenyl)-2-methylpropanenitrile;hydrochloride
CID 141395494
2-cyano-3-(2,4-dimethoxyphenyl)-2-methylpropanoic acid
CID 82131291
1-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propan-2-ol
CID 112501230
1-(iodomethyl)-2,4-dimethoxybenzene
CID 91883521
(2,4-dimethoxyphenyl)methanamine;4-methoxyaniline
CID 70411207
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
1-(1-chloro-2-methylpropan-2-yl)-2,4-dimethoxybenzene
CID 82081448

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-2-methylpropyl)-2,4-dimethoxybenzene?
The IUPAC name of 1-(2-bromo-2-methylpropyl)-2,4-dimethoxybenzene (CID 82255129) is 1-(2-bromo-2-methylpropyl)-2,4-dimethoxybenzene.
What is the SMILES notation for 1-(2-bromo-2-methylpropyl)-2,4-dimethoxybenzene?
The canonical SMILES for 1-(2-bromo-2-methylpropyl)-2,4-dimethoxybenzene is COc1ccc(CC(C)(C)Br)c(OC)c1.
What is the InChIKey of 1-(2-bromo-2-methylpropyl)-2,4-dimethoxybenzene?
The InChIKey is YGBFTWFVJGAPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO2/c1-12(2,13)8-9-5-6-10(14-3)7-11(9)15-4/h5-7H,8H2,1-4H3.
What are the key properties of 1-(2-bromo-2-methylpropyl)-2,4-dimethoxybenzene?
1-(2-bromo-2-methylpropyl)-2,4-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 1-(2-bromo-2-methylpropyl)-2,4-dimethoxybenzene is sourced from PubChem (CID 82255129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).