About (4-methoxy-2-trimethylsilyloxyphenyl)-(4-methylphenyl)methanone
(4-methoxy-2-trimethylsilyloxyphenyl)-(4-methylphenyl)methanone (PubChem CID 91741601) has the molecular formula C18H22O3Si
and a molecular weight of 314.46 g/mol. Its IUPAC name is (4-methoxy-2-trimethylsilyloxyphenyl)-(4-methylphenyl)methanone.
Molecular Properties
| Compound Name | (4-methoxy-2-trimethylsilyloxyphenyl)-(4-methylphenyl)methanone |
| PubChem CID | 91741601 |
| Molecular Formula | C18H22O3Si |
| Molecular Weight | 314.46 g/mol |
| Exact Mass | 314.13 |
| IUPAC Name | (4-methoxy-2-trimethylsilyloxyphenyl)-(4-methylphenyl)methanone |
| SMILES | COc1ccc(C(=O)c2ccc(C)cc2)c(O[Si](C)(C)C)c1 |
| InChI | InChI=1S/C18H22O3Si/c1-13-6-8-14(9-7-13)18(19)16-11-10-15(20-2)12-17(16)21-22(3,4)5/h6-12H,1-5H3 |
| InChIKey | AEJOVPVOVQCQNO-UHFFFAOYSA-N |
| XLogP | 4.45 |
| TPSA | 35.53 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 22 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 314.46 |
| LogP ≤ 5 | 4.45 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
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-methoxy-2-trimethylsilyloxyphenyl)-(4-methylphenyl)methanone?
The IUPAC name of (4-methoxy-2-trimethylsilyloxyphenyl)-(4-methylphenyl)methanone (CID 91741601) is (4-methoxy-2-trimethylsilyloxyphenyl)-(4-methylphenyl)methanone.
What is the SMILES notation for (4-methoxy-2-trimethylsilyloxyphenyl)-(4-methylphenyl)methanone?
The canonical SMILES for (4-methoxy-2-trimethylsilyloxyphenyl)-(4-methylphenyl)methanone is COc1ccc(C(=O)c2ccc(C)cc2)c(O[Si](C)(C)C)c1.
What is the InChIKey of (4-methoxy-2-trimethylsilyloxyphenyl)-(4-methylphenyl)methanone?
The InChIKey is AEJOVPVOVQCQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3Si/c1-13-6-8-14(9-7-13)18(19)16-11-10-15(20-2)12-17(16)21-22(3,4)5/h6-12H,1-5H3.
What are the key properties of (4-methoxy-2-trimethylsilyloxyphenyl)-(4-methylphenyl)methanone?
(4-methoxy-2-trimethylsilyloxyphenyl)-(4-methylphenyl)methanone has a molecular weight of 314.46 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2-trimethylsilyloxyphenyl)-(4-methylphenyl)methanone is sourced from PubChem (CID 91741601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).