1-(3-trimethylsilyloxyphenyl)ethanone

C11H16O2Si — CID 606413

IUPAC1-(3-trimethylsilyloxyphenyl)ethanone
SMILESCC(=O)c1cccc(O[Si](C)(C)C)c1
InChIInChI=1S/C11H16O2Si/c1-9(12)10-6-5-7-11(8-10)13-14(2,3)4/h5-8H,1-4H3
InChIKeyYJLBBILHUFBDFH-UHFFFAOYSA-N
MW208.33 g/mol
LogP3.10
Rot. Bonds3

About 1-(3-trimethylsilyloxyphenyl)ethanone

1-(3-trimethylsilyloxyphenyl)ethanone (PubChem CID 606413) has the molecular formula C11H16O2Si and a molecular weight of 208.33 g/mol. Its IUPAC name is 1-(3-trimethylsilyloxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3-trimethylsilyloxyphenyl)ethanone
PubChem CID606413
Molecular FormulaC11H16O2Si
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Name1-(3-trimethylsilyloxyphenyl)ethanone
SMILESCC(=O)c1cccc(O[Si](C)(C)C)c1
InChIInChI=1S/C11H16O2Si/c1-9(12)10-6-5-7-11(8-10)13-14(2,3)4/h5-8H,1-4H3
InChIKeyYJLBBILHUFBDFH-UHFFFAOYSA-N
XLogP3.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-hydroperoxyphenyl)ethanone
CID 21289599
(3-acetylphenyl) carbonochloridate
CID 13097700
1-[3-(chloromethoxy)phenyl]ethanone
CID 79531382
(3-acetylphenyl) dihydrogen phosphate
CID 57284655
(3-acetylphenyl) (2S)-2-aminopropanoate
CID 121364925
1-[3-(3-chloropropoxy)phenyl]ethanone
CID 14348752
2-(3-trimethylsilyloxyphenyl)acetic acid
CID 167737399
1-[3-[(2-methylphenyl)methoxy]phenyl]ethanone
CID 765227
1-(3-ethynoxyphenyl)ethanone;2,4,6-trimethyl-1,3,5-triazine
CID 90803675
1-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-1-one
CID 15049953
1-[3-(3-aminopropoxy)phenyl]ethanone
CID 82146512
1-[3-[[hydroxy(dimethyl)-λ4-sulfanyl]methoxy]phenyl]ethanone
CID 144853014

Frequently Asked Questions

What is the IUPAC name of 1-(3-trimethylsilyloxyphenyl)ethanone?
The IUPAC name of 1-(3-trimethylsilyloxyphenyl)ethanone (CID 606413) is 1-(3-trimethylsilyloxyphenyl)ethanone.
What is the SMILES notation for 1-(3-trimethylsilyloxyphenyl)ethanone?
The canonical SMILES for 1-(3-trimethylsilyloxyphenyl)ethanone is CC(=O)c1cccc(O[Si](C)(C)C)c1.
What is the InChIKey of 1-(3-trimethylsilyloxyphenyl)ethanone?
The InChIKey is YJLBBILHUFBDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2Si/c1-9(12)10-6-5-7-11(8-10)13-14(2,3)4/h5-8H,1-4H3.
What are the key properties of 1-(3-trimethylsilyloxyphenyl)ethanone?
1-(3-trimethylsilyloxyphenyl)ethanone has a molecular weight of 208.33 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-trimethylsilyloxyphenyl)ethanone is sourced from PubChem (CID 606413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).