[4-(4-bromo-2,5-dimethylphenyl)phenyl]-trimethylsilane

C17H21BrSi — CID 86085130

IUPAC[4-(4-bromo-2,5-dimethylphenyl)phenyl]-trimethylsilane
SMILESCc1cc(-c2ccc([Si](C)(C)C)cc2)c(C)cc1Br
InChIInChI=1S/C17H21BrSi/c1-12-11-17(18)13(2)10-16(12)14-6-8-15(9-7-14)19(3,4)5/h6-11H,1-5H3
InChIKeyRVDYULXOCMXJQB-UHFFFAOYSA-N
MW333.35 g/mol
LogP5.28
Rot. Bonds2

About [4-(4-bromo-2,5-dimethylphenyl)phenyl]-trimethylsilane

[4-(4-bromo-2,5-dimethylphenyl)phenyl]-trimethylsilane (PubChem CID 86085130) has the molecular formula C17H21BrSi and a molecular weight of 333.35 g/mol. Its IUPAC name is [4-(4-bromo-2,5-dimethylphenyl)phenyl]-trimethylsilane.

Molecular Properties

Compound Name[4-(4-bromo-2,5-dimethylphenyl)phenyl]-trimethylsilane
PubChem CID86085130
Molecular FormulaC17H21BrSi
Molecular Weight333.35 g/mol
Exact Mass332.06
IUPAC Name[4-(4-bromo-2,5-dimethylphenyl)phenyl]-trimethylsilane
SMILESCc1cc(-c2ccc([Si](C)(C)C)cc2)c(C)cc1Br
InChIInChI=1S/C17H21BrSi/c1-12-11-17(18)13(2)10-16(12)14-6-8-15(9-7-14)19(3,4)5/h6-11H,1-5H3
InChIKeyRVDYULXOCMXJQB-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.35
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-Bromo-2-methylnaphthalene
CID 75754
3-Bromo-1,2,4,5-tetramethylbenzene
CID 74240
1-Bromo-4-methylnaphthalene
CID 81112
4-Bromo-4'-pentylbiphenyl
CID 618709
9-Bromo-10-methylanthracene
CID 5077898
2-Bromo-1-methylnaphthalene
CID 12433511
3-Bromo-4'-methylbiphenyl
CID 60112680
1-Bromo-7-methylnaphthalene
CID 347354
1-Bromo-6-methylnaphthalene
CID 640593
1-Bromo-2,4,5-trimethylbenzene
CID 79610
2-Bromo-6-methylnaphthalene
CID 640592
6-Bromo-1,1,4,4,7-pentamethyl-1,2,3,4-tetrahydronaphthalene
CID 10039346

Frequently Asked Questions

What is the IUPAC name of [4-(4-bromo-2,5-dimethylphenyl)phenyl]-trimethylsilane?
The IUPAC name of [4-(4-bromo-2,5-dimethylphenyl)phenyl]-trimethylsilane (CID 86085130) is [4-(4-bromo-2,5-dimethylphenyl)phenyl]-trimethylsilane.
What is the SMILES notation for [4-(4-bromo-2,5-dimethylphenyl)phenyl]-trimethylsilane?
The canonical SMILES for [4-(4-bromo-2,5-dimethylphenyl)phenyl]-trimethylsilane is Cc1cc(-c2ccc([Si](C)(C)C)cc2)c(C)cc1Br.
What is the InChIKey of [4-(4-bromo-2,5-dimethylphenyl)phenyl]-trimethylsilane?
The InChIKey is RVDYULXOCMXJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrSi/c1-12-11-17(18)13(2)10-16(12)14-6-8-15(9-7-14)19(3,4)5/h6-11H,1-5H3.
What are the key properties of [4-(4-bromo-2,5-dimethylphenyl)phenyl]-trimethylsilane?
[4-(4-bromo-2,5-dimethylphenyl)phenyl]-trimethylsilane has a molecular weight of 333.35 g/mol, XLogP of 5.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromo-2,5-dimethylphenyl)phenyl]-trimethylsilane is sourced from PubChem (CID 86085130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).