1-(2-bromo-2-methylpropyl)-4-tert-butylbenzene

C14H21Br — CID 82255100

IUPAC1-(2-bromo-2-methylpropyl)-4-tert-butylbenzene
SMILESCC(C)(Br)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H21Br/c1-13(2,3)12-8-6-11(7-9-12)10-14(4,5)15/h6-9H,10H2,1-5H3
InChIKeyOKAQMCFMWQCTIS-UHFFFAOYSA-N
MW269.23 g/mol
LogP4.70
Rot. Bonds2

About 1-(2-bromo-2-methylpropyl)-4-tert-butylbenzene

1-(2-bromo-2-methylpropyl)-4-tert-butylbenzene (PubChem CID 82255100) has the molecular formula C14H21Br and a molecular weight of 269.23 g/mol. Its IUPAC name is 1-(2-bromo-2-methylpropyl)-4-tert-butylbenzene.

Molecular Properties

Compound Name1-(2-bromo-2-methylpropyl)-4-tert-butylbenzene
PubChem CID82255100
Molecular FormulaC14H21Br
Molecular Weight269.23 g/mol
Exact Mass268.08
IUPAC Name1-(2-bromo-2-methylpropyl)-4-tert-butylbenzene
SMILESCC(C)(Br)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H21Br/c1-13(2,3)12-8-6-11(7-9-12)10-14(4,5)15/h6-9H,10H2,1-5H3
InChIKeyOKAQMCFMWQCTIS-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 54.70
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-(4-tert-butylphenyl)propane-2,2-diol
CID 175500089
CID 162424412
CID 162424412
1-tert-butyl-4-(2,2-dibenzyl-3-phenylpropyl)benzene
CID 101188647
2,2-bis[(4-tert-butylphenyl)methyl]propane-1,3-diol
CID 11057694
1-tert-butyl-4-ethylbenzene
CID 157359507
1-tert-butyl-4-[(4-tert-butylphenyl)methyl]benzene;ethane
CID 144989068
1-(2-bromoprop-2-enyl)-4-tert-butylbenzene
CID 2756861
4-[(4-tert-butylphenyl)methyl]aniline
CID 12587648
4-[1-(4-tert-butylphenyl)-2-methylpropan-2-yl]pyridine
CID 170383941
1-(4-tert-butylphenyl)-2-(4-fluorophenyl)propan-2-ol
CID 65144980
1-[2,2-bis(chloromethyl)butyl]-4-tert-butylbenzene
CID 79447238
2-[(4-tert-butylphenyl)methyl]-2-ethylbutanoic acid
CID 63402911

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-2-methylpropyl)-4-tert-butylbenzene?
The IUPAC name of 1-(2-bromo-2-methylpropyl)-4-tert-butylbenzene (CID 82255100) is 1-(2-bromo-2-methylpropyl)-4-tert-butylbenzene.
What is the SMILES notation for 1-(2-bromo-2-methylpropyl)-4-tert-butylbenzene?
The canonical SMILES for 1-(2-bromo-2-methylpropyl)-4-tert-butylbenzene is CC(C)(Br)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(2-bromo-2-methylpropyl)-4-tert-butylbenzene?
The InChIKey is OKAQMCFMWQCTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Br/c1-13(2,3)12-8-6-11(7-9-12)10-14(4,5)15/h6-9H,10H2,1-5H3.
What are the key properties of 1-(2-bromo-2-methylpropyl)-4-tert-butylbenzene?
1-(2-bromo-2-methylpropyl)-4-tert-butylbenzene has a molecular weight of 269.23 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-2-methylpropyl)-4-tert-butylbenzene is sourced from PubChem (CID 82255100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).