[4-(2-bromophenyl)phenyl]-trimethoxysilane

C15H17BrO3Si — CID 59244074

IUPAC[4-(2-bromophenyl)phenyl]-trimethoxysilane
SMILESCO[Si](OC)(OC)c1ccc(-c2ccccc2Br)cc1
InChIInChI=1S/C15H17BrO3Si/c1-17-20(18-2,19-3)13-10-8-12(9-11-13)14-6-4-5-7-15(14)16/h4-11H,1-3H3
InChIKeyPIQHVPFVGLOIAX-UHFFFAOYSA-N
MW353.29 g/mol
LogP3.20
Rot. Bonds5

About [4-(2-bromophenyl)phenyl]-trimethoxysilane

[4-(2-bromophenyl)phenyl]-trimethoxysilane (PubChem CID 59244074) has the molecular formula C15H17BrO3Si and a molecular weight of 353.29 g/mol. Its IUPAC name is [4-(2-bromophenyl)phenyl]-trimethoxysilane.

Molecular Properties

Compound Name[4-(2-bromophenyl)phenyl]-trimethoxysilane
PubChem CID59244074
Molecular FormulaC15H17BrO3Si
Molecular Weight353.29 g/mol
Exact Mass352.01
IUPAC Name[4-(2-bromophenyl)phenyl]-trimethoxysilane
SMILESCO[Si](OC)(OC)c1ccc(-c2ccccc2Br)cc1
InChIInChI=1S/C15H17BrO3Si/c1-17-20(18-2,19-3)13-10-8-12(9-11-13)14-6-4-5-7-15(14)16/h4-11H,1-3H3
InChIKeyPIQHVPFVGLOIAX-UHFFFAOYSA-N
XLogP3.20
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(2-bromophenyl)phenyl]-trimethoxysilane?
The IUPAC name of [4-(2-bromophenyl)phenyl]-trimethoxysilane (CID 59244074) is [4-(2-bromophenyl)phenyl]-trimethoxysilane.
What is the SMILES notation for [4-(2-bromophenyl)phenyl]-trimethoxysilane?
The canonical SMILES for [4-(2-bromophenyl)phenyl]-trimethoxysilane is CO[Si](OC)(OC)c1ccc(-c2ccccc2Br)cc1.
What is the InChIKey of [4-(2-bromophenyl)phenyl]-trimethoxysilane?
The InChIKey is PIQHVPFVGLOIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrO3Si/c1-17-20(18-2,19-3)13-10-8-12(9-11-13)14-6-4-5-7-15(14)16/h4-11H,1-3H3.
What are the key properties of [4-(2-bromophenyl)phenyl]-trimethoxysilane?
[4-(2-bromophenyl)phenyl]-trimethoxysilane has a molecular weight of 353.29 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-bromophenyl)phenyl]-trimethoxysilane is sourced from PubChem (CID 59244074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).