2-[2-(2-bromophenoxy)phenyl]ethynyl-trimethylsilane

C17H17BrOSi — CID 164681631

IUPAC2-[2-(2-bromophenoxy)phenyl]ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1ccccc1Oc1ccccc1Br
InChIInChI=1S/C17H17BrOSi/c1-20(2,3)13-12-14-8-4-6-10-16(14)19-17-11-7-5-9-15(17)18/h4-11H,1-3H3
InChIKeyCRTNCNYPCIDQRB-UHFFFAOYSA-N
MW345.31 g/mol
LogP5.47
Rot. Bonds2

About 2-[2-(2-bromophenoxy)phenyl]ethynyl-trimethylsilane

2-[2-(2-bromophenoxy)phenyl]ethynyl-trimethylsilane (PubChem CID 164681631) has the molecular formula C17H17BrOSi and a molecular weight of 345.31 g/mol. Its IUPAC name is 2-[2-(2-bromophenoxy)phenyl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[2-(2-bromophenoxy)phenyl]ethynyl-trimethylsilane
PubChem CID164681631
Molecular FormulaC17H17BrOSi
Molecular Weight345.31 g/mol
Exact Mass344.02
IUPAC Name2-[2-(2-bromophenoxy)phenyl]ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1ccccc1Oc1ccccc1Br
InChIInChI=1S/C17H17BrOSi/c1-20(2,3)13-12-14-8-4-6-10-16(14)19-17-11-7-5-9-15(17)18/h4-11H,1-3H3
InChIKeyCRTNCNYPCIDQRB-UHFFFAOYSA-N
XLogP5.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.31
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromophenoxy)phenyl]ethynyl-trimethylsilane?
The IUPAC name of 2-[2-(2-bromophenoxy)phenyl]ethynyl-trimethylsilane (CID 164681631) is 2-[2-(2-bromophenoxy)phenyl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[2-(2-bromophenoxy)phenyl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[2-(2-bromophenoxy)phenyl]ethynyl-trimethylsilane is C[Si](C)(C)C#Cc1ccccc1Oc1ccccc1Br.
What is the InChIKey of 2-[2-(2-bromophenoxy)phenyl]ethynyl-trimethylsilane?
The InChIKey is CRTNCNYPCIDQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrOSi/c1-20(2,3)13-12-14-8-4-6-10-16(14)19-17-11-7-5-9-15(17)18/h4-11H,1-3H3.
What are the key properties of 2-[2-(2-bromophenoxy)phenyl]ethynyl-trimethylsilane?
2-[2-(2-bromophenoxy)phenyl]ethynyl-trimethylsilane has a molecular weight of 345.31 g/mol, XLogP of 5.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromophenoxy)phenyl]ethynyl-trimethylsilane is sourced from PubChem (CID 164681631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).