2-bromo-4-tert-butyl-1-(4-methylphenyl)benzene

C17H19Br — CID 164892740

IUPAC2-bromo-4-tert-butyl-1-(4-methylphenyl)benzene
SMILESCc1ccc(-c2ccc(C(C)(C)C)cc2Br)cc1
InChIInChI=1S/C17H19Br/c1-12-5-7-13(8-6-12)15-10-9-14(11-16(15)18)17(2,3)4/h5-11H,1-4H3
InChIKeyBXZBSGSJSZORKZ-UHFFFAOYSA-N
MW303.24 g/mol
LogP5.72
Rot. Bonds1

About 2-bromo-4-tert-butyl-1-(4-methylphenyl)benzene

2-bromo-4-tert-butyl-1-(4-methylphenyl)benzene (PubChem CID 164892740) has the molecular formula C17H19Br and a molecular weight of 303.24 g/mol. Its IUPAC name is 2-bromo-4-tert-butyl-1-(4-methylphenyl)benzene.

Molecular Properties

Compound Name2-bromo-4-tert-butyl-1-(4-methylphenyl)benzene
PubChem CID164892740
Molecular FormulaC17H19Br
Molecular Weight303.24 g/mol
Exact Mass302.07
IUPAC Name2-bromo-4-tert-butyl-1-(4-methylphenyl)benzene
SMILESCc1ccc(-c2ccc(C(C)(C)C)cc2Br)cc1
InChIInChI=1S/C17H19Br/c1-12-5-7-13(8-6-12)15-10-9-14(11-16(15)18)17(2,3)4/h5-11H,1-4H3
InChIKeyBXZBSGSJSZORKZ-UHFFFAOYSA-N
XLogP5.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.24
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[3,5-bis(2-bromophenyl)phenyl]-2-bromo-4-tert-butylbenzene
CID 134191319
1-(2-bromo-4-tert-butylphenyl)-3-(2-bromophenyl)-5-(2-methylphenyl)benzene
CID 139352170
4-tert-butyl-1-fluoro-2-(4-methylphenyl)benzene
CID 58049386
4-(2-bromo-4-methylphenyl)phenol
CID 175328096
1-tert-butyl-4-methylbenzene
CID 163486601
3-[4-(2,4-dibromophenyl)phenyl]butane-1,3-diol
CID 21322597
tetrakis(1-tert-butyl-4-methylbenzene);ethane
CID 163240916
[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]phosphane
CID 134970841
3-bromo-7,10-ditert-butyltricyclo[4.2.2.22,5]dodeca-1(9),2,4,6(10),7,11-hexaene
CID 56636471
2,7-ditert-butyl-9,9-dimethyl-4-[4-(4-methylphenyl)phenyl]fluorene
CID 58986962
1-tert-butyl-4-methylbenzene;dibromozinc
CID 174651577
1-bromo-2-(4-methylphenyl)benzene;ethane
CID 144848259

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-tert-butyl-1-(4-methylphenyl)benzene?
The IUPAC name of 2-bromo-4-tert-butyl-1-(4-methylphenyl)benzene (CID 164892740) is 2-bromo-4-tert-butyl-1-(4-methylphenyl)benzene.
What is the SMILES notation for 2-bromo-4-tert-butyl-1-(4-methylphenyl)benzene?
The canonical SMILES for 2-bromo-4-tert-butyl-1-(4-methylphenyl)benzene is Cc1ccc(-c2ccc(C(C)(C)C)cc2Br)cc1.
What is the InChIKey of 2-bromo-4-tert-butyl-1-(4-methylphenyl)benzene?
The InChIKey is BXZBSGSJSZORKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Br/c1-12-5-7-13(8-6-12)15-10-9-14(11-16(15)18)17(2,3)4/h5-11H,1-4H3.
What are the key properties of 2-bromo-4-tert-butyl-1-(4-methylphenyl)benzene?
2-bromo-4-tert-butyl-1-(4-methylphenyl)benzene has a molecular weight of 303.24 g/mol, XLogP of 5.72, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-tert-butyl-1-(4-methylphenyl)benzene is sourced from PubChem (CID 164892740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).