phenyl-[3-(2-trimethylsilylethynyl)phenyl]methanol

C18H20OSi — CID 18957452

IUPACphenyl-[3-(2-trimethylsilylethynyl)phenyl]methanol
SMILESC[Si](C)(C)C#Cc1cccc(C(O)c2ccccc2)c1
InChIInChI=1S/C18H20OSi/c1-20(2,3)13-12-15-8-7-11-17(14-15)18(19)16-9-5-4-6-10-16/h4-11,14,18-19H,1-3H3
InChIKeyBGXOAGXJFSGZCC-UHFFFAOYSA-N
MW280.44 g/mol
LogP4.00
Rot. Bonds2

About phenyl-[3-(2-trimethylsilylethynyl)phenyl]methanol

phenyl-[3-(2-trimethylsilylethynyl)phenyl]methanol (PubChem CID 18957452) has the molecular formula C18H20OSi and a molecular weight of 280.44 g/mol. Its IUPAC name is phenyl-[3-(2-trimethylsilylethynyl)phenyl]methanol.

Molecular Properties

Compound Namephenyl-[3-(2-trimethylsilylethynyl)phenyl]methanol
PubChem CID18957452
Molecular FormulaC18H20OSi
Molecular Weight280.44 g/mol
Exact Mass280.13
IUPAC Namephenyl-[3-(2-trimethylsilylethynyl)phenyl]methanol
SMILESC[Si](C)(C)C#Cc1cccc(C(O)c2ccccc2)c1
InChIInChI=1S/C18H20OSi/c1-20(2,3)13-12-15-8-7-11-17(14-15)18(19)16-9-5-4-6-10-16/h4-11,14,18-19H,1-3H3
InChIKeyBGXOAGXJFSGZCC-UHFFFAOYSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
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 phenyl-[3-(2-trimethylsilylethynyl)phenyl]methanol?
The IUPAC name of phenyl-[3-(2-trimethylsilylethynyl)phenyl]methanol (CID 18957452) is phenyl-[3-(2-trimethylsilylethynyl)phenyl]methanol.
What is the SMILES notation for phenyl-[3-(2-trimethylsilylethynyl)phenyl]methanol?
The canonical SMILES for phenyl-[3-(2-trimethylsilylethynyl)phenyl]methanol is C[Si](C)(C)C#Cc1cccc(C(O)c2ccccc2)c1.
What is the InChIKey of phenyl-[3-(2-trimethylsilylethynyl)phenyl]methanol?
The InChIKey is BGXOAGXJFSGZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20OSi/c1-20(2,3)13-12-15-8-7-11-17(14-15)18(19)16-9-5-4-6-10-16/h4-11,14,18-19H,1-3H3.
What are the key properties of phenyl-[3-(2-trimethylsilylethynyl)phenyl]methanol?
phenyl-[3-(2-trimethylsilylethynyl)phenyl]methanol has a molecular weight of 280.44 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[3-(2-trimethylsilylethynyl)phenyl]methanol is sourced from PubChem (CID 18957452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).