(4-methoxy-2-trimethylsilyloxyphenyl)-(4-methylphenyl)methanone

C18H22O3Si — CID 91741601

IUPAC(4-methoxy-2-trimethylsilyloxyphenyl)-(4-methylphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(C)cc2)c(O[Si](C)(C)C)c1
InChIInChI=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
InChIKeyAEJOVPVOVQCQNO-UHFFFAOYSA-N
MW314.46 g/mol
LogP4.45
Rot. Bonds5

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 CID91741601
Molecular FormulaC18H22O3Si
Molecular Weight314.46 g/mol
Exact Mass314.13
IUPAC Name(4-methoxy-2-trimethylsilyloxyphenyl)-(4-methylphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(C)cc2)c(O[Si](C)(C)C)c1
InChIInChI=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
InChIKeyAEJOVPVOVQCQNO-UHFFFAOYSA-N
XLogP4.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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).