1-(1-bromo-3-methylbutyl)-4-(2-methylbutan-2-yl)benzene

C16H25Br — CID 66260360

IUPAC1-(1-bromo-3-methylbutyl)-4-(2-methylbutan-2-yl)benzene
SMILESCCC(C)(C)c1ccc(C(Br)CC(C)C)cc1
InChIInChI=1S/C16H25Br/c1-6-16(4,5)14-9-7-13(8-10-14)15(17)11-12(2)3/h7-10,12,15H,6,11H2,1-5H3
InChIKeyRJWWIMOZAYYGCP-UHFFFAOYSA-N
MW297.28 g/mol
LogP5.86
Rot. Bonds5

About 1-(1-bromo-3-methylbutyl)-4-(2-methylbutan-2-yl)benzene

1-(1-bromo-3-methylbutyl)-4-(2-methylbutan-2-yl)benzene (PubChem CID 66260360) has the molecular formula C16H25Br and a molecular weight of 297.28 g/mol. Its IUPAC name is 1-(1-bromo-3-methylbutyl)-4-(2-methylbutan-2-yl)benzene.

Molecular Properties

Compound Name1-(1-bromo-3-methylbutyl)-4-(2-methylbutan-2-yl)benzene
PubChem CID66260360
Molecular FormulaC16H25Br
Molecular Weight297.28 g/mol
Exact Mass296.11
IUPAC Name1-(1-bromo-3-methylbutyl)-4-(2-methylbutan-2-yl)benzene
SMILESCCC(C)(C)c1ccc(C(Br)CC(C)C)cc1
InChIInChI=1S/C16H25Br/c1-6-16(4,5)14-9-7-13(8-10-14)15(17)11-12(2)3/h7-10,12,15H,6,11H2,1-5H3
InChIKeyRJWWIMOZAYYGCP-UHFFFAOYSA-N
XLogP5.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.28
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[(1S)-1-iodoethyl]-4-(2-methylbutan-2-yl)benzene
CID 118596148
1-butan-2-yl-4-(2-methylbutan-2-yl)benzene
CID 54072029
1-(1-chloroethyl)-4-(2-methylbutan-2-yl)benzene
CID 66259205
1-(1-bromo-3-cyclohexylpropyl)-4-(2-methylbutan-2-yl)benzene
CID 66258438
2,2-dimethyl-1-[4-(2-methylbutan-2-yl)phenyl]propan-1-amine
CID 66259173
1-(1-bromo-3,5,5-trimethylhexyl)-4-tert-butylbenzene
CID 63439885
1,3-dibromo-5-[bromo-[4-(2-methylbutan-2-yl)phenyl]methyl]benzene
CID 107980960
methyl-tris[4-(2-methylbutan-2-yl)phenyl]phosphanium
CID 23463777
3-[bromo-[4-(2-methylbutan-2-yl)phenyl]methyl]furan
CID 66259979
1-[bromo(cyclobutyl)methyl]-4-(2-methylbutan-2-yl)benzene
CID 66257463
4-[bromo-[4-(2-methylbutan-2-yl)phenyl]methyl]-1,2-dichlorobenzene
CID 66259978
1-(3-bromobut-1-enyl)-4-(2-methylbutan-2-yl)benzene
CID 57192877

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromo-3-methylbutyl)-4-(2-methylbutan-2-yl)benzene?
The IUPAC name of 1-(1-bromo-3-methylbutyl)-4-(2-methylbutan-2-yl)benzene (CID 66260360) is 1-(1-bromo-3-methylbutyl)-4-(2-methylbutan-2-yl)benzene.
What is the SMILES notation for 1-(1-bromo-3-methylbutyl)-4-(2-methylbutan-2-yl)benzene?
The canonical SMILES for 1-(1-bromo-3-methylbutyl)-4-(2-methylbutan-2-yl)benzene is CCC(C)(C)c1ccc(C(Br)CC(C)C)cc1.
What is the InChIKey of 1-(1-bromo-3-methylbutyl)-4-(2-methylbutan-2-yl)benzene?
The InChIKey is RJWWIMOZAYYGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25Br/c1-6-16(4,5)14-9-7-13(8-10-14)15(17)11-12(2)3/h7-10,12,15H,6,11H2,1-5H3.
What are the key properties of 1-(1-bromo-3-methylbutyl)-4-(2-methylbutan-2-yl)benzene?
1-(1-bromo-3-methylbutyl)-4-(2-methylbutan-2-yl)benzene has a molecular weight of 297.28 g/mol, XLogP of 5.86, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromo-3-methylbutyl)-4-(2-methylbutan-2-yl)benzene is sourced from PubChem (CID 66260360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).