4-bromo-2-methyl-1-(2-methylpropoxy)benzene

C11H15BrO — CID 63529292

IUPAC4-bromo-2-methyl-1-(2-methylpropoxy)benzene
SMILESCc1cc(Br)ccc1OCC(C)C
InChIInChI=1S/C11H15BrO/c1-8(2)7-13-11-5-4-10(12)6-9(11)3/h4-6,8H,7H2,1-3H3
InChIKeyCJDSKNYMSGAVKV-UHFFFAOYSA-N
MW243.14 g/mol
LogP3.79
Rot. Bonds3

About 4-bromo-2-methyl-1-(2-methylpropoxy)benzene

4-bromo-2-methyl-1-(2-methylpropoxy)benzene (PubChem CID 63529292) has the molecular formula C11H15BrO and a molecular weight of 243.14 g/mol. Its IUPAC name is 4-bromo-2-methyl-1-(2-methylpropoxy)benzene.

Molecular Properties

Compound Name4-bromo-2-methyl-1-(2-methylpropoxy)benzene
PubChem CID63529292
Molecular FormulaC11H15BrO
Molecular Weight243.14 g/mol
Exact Mass242.03
IUPAC Name4-bromo-2-methyl-1-(2-methylpropoxy)benzene
SMILESCc1cc(Br)ccc1OCC(C)C
InChIInChI=1S/C11H15BrO/c1-8(2)7-13-11-5-4-10(12)6-9(11)3/h4-6,8H,7H2,1-3H3
InChIKeyCJDSKNYMSGAVKV-UHFFFAOYSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-1-(3-bromo-2-methylpropoxy)-2-methylbenzene
CID 64995954
4-bromo-2-methyl-1-(4-methylpentoxy)benzene
CID 83156668
(1S)-1-[3-methyl-4-(2-methylpropoxy)phenyl]ethanamine
CID 89490025
1-(4-bromo-2-methylphenoxy)-3-(methylamino)propan-2-ol
CID 63216610
4-bromo-1-(2-bromoethoxy)-2-methylbenzene
CID 63216698
N-[2-(4-bromo-2-methylphenoxy)ethyl]-3-methylbutan-1-amine
CID 63517078
[4-bromo-2-(2-methylpropoxy)phenyl]methanamine
CID 115581634
N'-[2-(4-bromo-2-methylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide
CID 4930160
N-[2-(4-bromo-2-methylphenoxy)ethyl]-1-methoxypropan-2-amine
CID 55162498
4-bromo-1-(2-methylpropoxy)-2-(2,2,2-trifluoroethoxy)benzene
CID 155928749
3-(4-bromo-2-methylphenoxy)-N-propan-2-ylpropan-1-amine
CID 63217089
N-[2-(4-bromo-2-methylphenoxy)ethyl]-4-methylpentan-1-amine
CID 63517402

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-1-(2-methylpropoxy)benzene?
The IUPAC name of 4-bromo-2-methyl-1-(2-methylpropoxy)benzene (CID 63529292) is 4-bromo-2-methyl-1-(2-methylpropoxy)benzene.
What is the SMILES notation for 4-bromo-2-methyl-1-(2-methylpropoxy)benzene?
The canonical SMILES for 4-bromo-2-methyl-1-(2-methylpropoxy)benzene is Cc1cc(Br)ccc1OCC(C)C.
What is the InChIKey of 4-bromo-2-methyl-1-(2-methylpropoxy)benzene?
The InChIKey is CJDSKNYMSGAVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO/c1-8(2)7-13-11-5-4-10(12)6-9(11)3/h4-6,8H,7H2,1-3H3.
What are the key properties of 4-bromo-2-methyl-1-(2-methylpropoxy)benzene?
4-bromo-2-methyl-1-(2-methylpropoxy)benzene has a molecular weight of 243.14 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-1-(2-methylpropoxy)benzene is sourced from PubChem (CID 63529292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).