1-[2-[2-(4-fluorophenyl)ethynyl]phenyl]-3-trimethylsilylprop-2-yn-1-ol

C20H19FOSi — CID 71566924

IUPAC1-[2-[2-(4-fluorophenyl)ethynyl]phenyl]-3-trimethylsilylprop-2-yn-1-ol
SMILESC[Si](C)(C)C#CC(O)c1ccccc1C#Cc1ccc(F)cc1
InChIInChI=1S/C20H19FOSi/c1-23(2,3)15-14-20(22)19-7-5-4-6-17(19)11-8-16-9-12-18(21)13-10-16/h4-7,9-10,12-13,20,22H,1-3H3
InChIKeyZIBIJBNMHQUNAO-UHFFFAOYSA-N
MW322.46 g/mol
LogP4.14
Rot. Bonds1

About 1-[2-[2-(4-fluorophenyl)ethynyl]phenyl]-3-trimethylsilylprop-2-yn-1-ol

1-[2-[2-(4-fluorophenyl)ethynyl]phenyl]-3-trimethylsilylprop-2-yn-1-ol (PubChem CID 71566924) has the molecular formula C20H19FOSi and a molecular weight of 322.46 g/mol. Its IUPAC name is 1-[2-[2-(4-fluorophenyl)ethynyl]phenyl]-3-trimethylsilylprop-2-yn-1-ol.

Molecular Properties

Compound Name1-[2-[2-(4-fluorophenyl)ethynyl]phenyl]-3-trimethylsilylprop-2-yn-1-ol
PubChem CID71566924
Molecular FormulaC20H19FOSi
Molecular Weight322.46 g/mol
Exact Mass322.12
IUPAC Name1-[2-[2-(4-fluorophenyl)ethynyl]phenyl]-3-trimethylsilylprop-2-yn-1-ol
SMILESC[Si](C)(C)C#CC(O)c1ccccc1C#Cc1ccc(F)cc1
InChIInChI=1S/C20H19FOSi/c1-23(2,3)15-14-20(22)19-7-5-4-6-17(19)11-8-16-9-12-18(21)13-10-16/h4-7,9-10,12-13,20,22H,1-3H3
InChIKeyZIBIJBNMHQUNAO-UHFFFAOYSA-N
XLogP4.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 54.14
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'}

Analyze 1-[2-[2-(4-fluorophenyl)ethynyl]phenyl]-3-trimethylsilylprop-2-yn-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-fluorophenyl)ethynyl]phenyl]-3-trimethylsilylprop-2-yn-1-ol?
The IUPAC name of 1-[2-[2-(4-fluorophenyl)ethynyl]phenyl]-3-trimethylsilylprop-2-yn-1-ol (CID 71566924) is 1-[2-[2-(4-fluorophenyl)ethynyl]phenyl]-3-trimethylsilylprop-2-yn-1-ol.
What is the SMILES notation for 1-[2-[2-(4-fluorophenyl)ethynyl]phenyl]-3-trimethylsilylprop-2-yn-1-ol?
The canonical SMILES for 1-[2-[2-(4-fluorophenyl)ethynyl]phenyl]-3-trimethylsilylprop-2-yn-1-ol is C[Si](C)(C)C#CC(O)c1ccccc1C#Cc1ccc(F)cc1.
What is the InChIKey of 1-[2-[2-(4-fluorophenyl)ethynyl]phenyl]-3-trimethylsilylprop-2-yn-1-ol?
The InChIKey is ZIBIJBNMHQUNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FOSi/c1-23(2,3)15-14-20(22)19-7-5-4-6-17(19)11-8-16-9-12-18(21)13-10-16/h4-7,9-10,12-13,20,22H,1-3H3.
What are the key properties of 1-[2-[2-(4-fluorophenyl)ethynyl]phenyl]-3-trimethylsilylprop-2-yn-1-ol?
1-[2-[2-(4-fluorophenyl)ethynyl]phenyl]-3-trimethylsilylprop-2-yn-1-ol has a molecular weight of 322.46 g/mol, XLogP of 4.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-fluorophenyl)ethynyl]phenyl]-3-trimethylsilylprop-2-yn-1-ol is sourced from PubChem (CID 71566924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).