2-(4-trimethylsilylphenyl)chromen-4-one

C18H18O2Si — CID 66553949

IUPAC2-(4-trimethylsilylphenyl)chromen-4-one
SMILESC[Si](C)(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1
InChIInChI=1S/C18H18O2Si/c1-21(2,3)14-10-8-13(9-11-14)18-12-16(19)15-6-4-5-7-17(15)20-18/h4-12H,1-3H3
InChIKeyOHTNKJNGAGHWDS-UHFFFAOYSA-N
MW294.43 g/mol
LogP4.01
Rot. Bonds2

About 2-(4-trimethylsilylphenyl)chromen-4-one

2-(4-trimethylsilylphenyl)chromen-4-one (PubChem CID 66553949) has the molecular formula C18H18O2Si and a molecular weight of 294.43 g/mol. Its IUPAC name is 2-(4-trimethylsilylphenyl)chromen-4-one.

Molecular Properties

Compound Name2-(4-trimethylsilylphenyl)chromen-4-one
PubChem CID66553949
Molecular FormulaC18H18O2Si
Molecular Weight294.43 g/mol
Exact Mass294.11
IUPAC Name2-(4-trimethylsilylphenyl)chromen-4-one
SMILESC[Si](C)(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1
InChIInChI=1S/C18H18O2Si/c1-21(2,3)14-10-8-13(9-11-14)18-12-16(19)15-6-4-5-7-17(15)20-18/h4-12H,1-3H3
InChIKeyOHTNKJNGAGHWDS-UHFFFAOYSA-N
XLogP4.01
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.43
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-trimethylsilylphenyl)chromen-4-one 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 2-(4-trimethylsilylphenyl)chromen-4-one?
The IUPAC name of 2-(4-trimethylsilylphenyl)chromen-4-one (CID 66553949) is 2-(4-trimethylsilylphenyl)chromen-4-one.
What is the SMILES notation for 2-(4-trimethylsilylphenyl)chromen-4-one?
The canonical SMILES for 2-(4-trimethylsilylphenyl)chromen-4-one is C[Si](C)(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1.
What is the InChIKey of 2-(4-trimethylsilylphenyl)chromen-4-one?
The InChIKey is OHTNKJNGAGHWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2Si/c1-21(2,3)14-10-8-13(9-11-14)18-12-16(19)15-6-4-5-7-17(15)20-18/h4-12H,1-3H3.
What are the key properties of 2-(4-trimethylsilylphenyl)chromen-4-one?
2-(4-trimethylsilylphenyl)chromen-4-one has a molecular weight of 294.43 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-trimethylsilylphenyl)chromen-4-one is sourced from PubChem (CID 66553949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).