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

C12H17BrO — CID 107283947

IUPAC4-bromo-1-methyl-2-(2-methylbutoxy)benzene
SMILESCCC(C)COc1cc(Br)ccc1C
InChIInChI=1S/C12H17BrO/c1-4-9(2)8-14-12-7-11(13)6-5-10(12)3/h5-7,9H,4,8H2,1-3H3
InChIKeyJZHURYKBSRAFBM-UHFFFAOYSA-N
MW257.17 g/mol
LogP4.18
Rot. Bonds4

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

4-bromo-1-methyl-2-(2-methylbutoxy)benzene (PubChem CID 107283947) has the molecular formula C12H17BrO and a molecular weight of 257.17 g/mol. Its IUPAC name is 4-bromo-1-methyl-2-(2-methylbutoxy)benzene.

Molecular Properties

Compound Name4-bromo-1-methyl-2-(2-methylbutoxy)benzene
PubChem CID107283947
Molecular FormulaC12H17BrO
Molecular Weight257.17 g/mol
Exact Mass256.05
IUPAC Name4-bromo-1-methyl-2-(2-methylbutoxy)benzene
SMILESCCC(C)COc1cc(Br)ccc1C
InChIInChI=1S/C12H17BrO/c1-4-9(2)8-14-12-7-11(13)6-5-10(12)3/h5-7,9H,4,8H2,1-3H3
InChIKeyJZHURYKBSRAFBM-UHFFFAOYSA-N
XLogP4.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(5-bromo-2-methylphenoxy)-N,2-dimethylpropan-1-amine
CID 107285213
3-(5-bromo-2-methylphenoxy)-2-methylpropane-1-sulfonamide
CID 107286864
4-bromo-2-[2-(bromomethyl)-3-methylbutoxy]-1-methylbenzene
CID 107283654
4-bromo-2-butan-2-yloxy-1-methylbenzene
CID 103693573
4-bromo-2-[(5-bromo-2-methoxyphenyl)methyl]-1-[(2S)-2-methylbutoxy]benzene
CID 139605000
4-bromo-1-(3-bromo-2-methylpropoxy)-2-methylbenzene
CID 64995954
2,4-dibromo-1-(2,6-dimethyloctoxy)benzene
CID 139967544
1-(5-bromo-2-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 107283636
4-bromo-2-hexoxy-1-methylbenzene
CID 59244054
4-bromo-2-methyl-1-(2-methylpropoxy)benzene
CID 63529292
4-bromo-2-(2-chloroethoxy)-1-methylbenzene
CID 107283647
3-(5-bromo-2-methylphenoxy)propan-1-amine
CID 82648257

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-2-(2-methylbutoxy)benzene?
The IUPAC name of 4-bromo-1-methyl-2-(2-methylbutoxy)benzene (CID 107283947) is 4-bromo-1-methyl-2-(2-methylbutoxy)benzene.
What is the SMILES notation for 4-bromo-1-methyl-2-(2-methylbutoxy)benzene?
The canonical SMILES for 4-bromo-1-methyl-2-(2-methylbutoxy)benzene is CCC(C)COc1cc(Br)ccc1C.
What is the InChIKey of 4-bromo-1-methyl-2-(2-methylbutoxy)benzene?
The InChIKey is JZHURYKBSRAFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO/c1-4-9(2)8-14-12-7-11(13)6-5-10(12)3/h5-7,9H,4,8H2,1-3H3.
What are the key properties of 4-bromo-1-methyl-2-(2-methylbutoxy)benzene?
4-bromo-1-methyl-2-(2-methylbutoxy)benzene has a molecular weight of 257.17 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-2-(2-methylbutoxy)benzene is sourced from PubChem (CID 107283947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).