1-bromo-2-[(4-tert-butylphenyl)methyl]benzene

C17H19Br — CID 171716628

IUPAC1-bromo-2-[(4-tert-butylphenyl)methyl]benzene
SMILESCC(C)(C)c1ccc(Cc2ccccc2Br)cc1
InChIInChI=1S/C17H19Br/c1-17(2,3)15-10-8-13(9-11-15)12-14-6-4-5-7-16(14)18/h4-11H,12H2,1-3H3
InChIKeyGERWSTIQQBWLMJ-UHFFFAOYSA-N
MW303.24 g/mol
LogP5.34
Rot. Bonds2

About 1-bromo-2-[(4-tert-butylphenyl)methyl]benzene

1-bromo-2-[(4-tert-butylphenyl)methyl]benzene (PubChem CID 171716628) has the molecular formula C17H19Br and a molecular weight of 303.24 g/mol. Its IUPAC name is 1-bromo-2-[(4-tert-butylphenyl)methyl]benzene.

Molecular Properties

Compound Name1-bromo-2-[(4-tert-butylphenyl)methyl]benzene
PubChem CID171716628
Molecular FormulaC17H19Br
Molecular Weight303.24 g/mol
Exact Mass302.07
IUPAC Name1-bromo-2-[(4-tert-butylphenyl)methyl]benzene
SMILESCC(C)(C)c1ccc(Cc2ccccc2Br)cc1
InChIInChI=1S/C17H19Br/c1-17(2,3)15-10-8-13(9-11-15)12-14-6-4-5-7-16(14)18/h4-11H,12H2,1-3H3
InChIKeyGERWSTIQQBWLMJ-UHFFFAOYSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.24
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-2-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 18412167
4-[(2-bromophenyl)methyl]benzoic acid
CID 116927223
2-(2-bromophenyl)-1-(4-tert-butylphenyl)ethanamine
CID 63419920
2-[[2-[(4-tert-butylphenyl)methyl]phenyl]methyl]naphthalene
CID 86082412
(Z)-2-(2-bromophenyl)-1-(4-tert-butylphenyl)-N-chloroethanimine
CID 59301476
1-tert-butyl-4-[(4-tert-butylphenyl)methyl]benzene;ethane
CID 144989068
2,3-diamino-3-[4-[(2-bromophenyl)methyl]phenyl]-2-methylpropanamide
CID 174352812
4-[(4-tert-butylphenyl)methyl]aniline
CID 12587648
1-bromo-2-[(4-tert-butylphenyl)methoxy]-3-(chloromethyl)benzene
CID 63534527
1-bromo-2-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 86225102
1-(2-bromophenyl)-3,3-dimethylbutan-2-one
CID 59617524
1-bromo-2,3-dichloro-5-(4-phenylphenyl)benzene;4-tert-butylaniline;1-[(4-tert-butylphenyl)methyl]-2,3-dichloro-5-(4-phenylphenyl)benzene
CID 167674794

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[(4-tert-butylphenyl)methyl]benzene?
The IUPAC name of 1-bromo-2-[(4-tert-butylphenyl)methyl]benzene (CID 171716628) is 1-bromo-2-[(4-tert-butylphenyl)methyl]benzene.
What is the SMILES notation for 1-bromo-2-[(4-tert-butylphenyl)methyl]benzene?
The canonical SMILES for 1-bromo-2-[(4-tert-butylphenyl)methyl]benzene is CC(C)(C)c1ccc(Cc2ccccc2Br)cc1.
What is the InChIKey of 1-bromo-2-[(4-tert-butylphenyl)methyl]benzene?
The InChIKey is GERWSTIQQBWLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Br/c1-17(2,3)15-10-8-13(9-11-15)12-14-6-4-5-7-16(14)18/h4-11H,12H2,1-3H3.
What are the key properties of 1-bromo-2-[(4-tert-butylphenyl)methyl]benzene?
1-bromo-2-[(4-tert-butylphenyl)methyl]benzene has a molecular weight of 303.24 g/mol, XLogP of 5.34, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[(4-tert-butylphenyl)methyl]benzene is sourced from PubChem (CID 171716628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).