1-(4-methoxy-2-trimethylsilyloxyphenyl)ethanone

C12H18O3Si — CID 6425501

IUPAC1-(4-methoxy-2-trimethylsilyloxyphenyl)ethanone
SMILESCOc1ccc(C(C)=O)c(O[Si](C)(C)C)c1
InChIInChI=1S/C12H18O3Si/c1-9(13)11-7-6-10(14-2)8-12(11)15-16(3,4)5/h6-8H,1-5H3
InChIKeyDJPUUBCEMVTSRM-UHFFFAOYSA-N
MW238.36 g/mol
LogP3.11
Rot. Bonds4

About 1-(4-methoxy-2-trimethylsilyloxyphenyl)ethanone

1-(4-methoxy-2-trimethylsilyloxyphenyl)ethanone (PubChem CID 6425501) has the molecular formula C12H18O3Si and a molecular weight of 238.36 g/mol. Its IUPAC name is 1-(4-methoxy-2-trimethylsilyloxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-methoxy-2-trimethylsilyloxyphenyl)ethanone
PubChem CID6425501
Molecular FormulaC12H18O3Si
Molecular Weight238.36 g/mol
Exact Mass238.10
IUPAC Name1-(4-methoxy-2-trimethylsilyloxyphenyl)ethanone
SMILESCOc1ccc(C(C)=O)c(O[Si](C)(C)C)c1
InChIInChI=1S/C12H18O3Si/c1-9(13)11-7-6-10(14-2)8-12(11)15-16(3,4)5/h6-8H,1-5H3
InChIKeyDJPUUBCEMVTSRM-UHFFFAOYSA-N
XLogP3.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 53.11
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 1-(4-methoxy-2-trimethylsilyloxyphenyl)ethanone?
The IUPAC name of 1-(4-methoxy-2-trimethylsilyloxyphenyl)ethanone (CID 6425501) is 1-(4-methoxy-2-trimethylsilyloxyphenyl)ethanone.
What is the SMILES notation for 1-(4-methoxy-2-trimethylsilyloxyphenyl)ethanone?
The canonical SMILES for 1-(4-methoxy-2-trimethylsilyloxyphenyl)ethanone is COc1ccc(C(C)=O)c(O[Si](C)(C)C)c1.
What is the InChIKey of 1-(4-methoxy-2-trimethylsilyloxyphenyl)ethanone?
The InChIKey is DJPUUBCEMVTSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3Si/c1-9(13)11-7-6-10(14-2)8-12(11)15-16(3,4)5/h6-8H,1-5H3.
What are the key properties of 1-(4-methoxy-2-trimethylsilyloxyphenyl)ethanone?
1-(4-methoxy-2-trimethylsilyloxyphenyl)ethanone has a molecular weight of 238.36 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-trimethylsilyloxyphenyl)ethanone is sourced from PubChem (CID 6425501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).