1-phenyl-3-[2,4,6-tris(trimethylsilyloxy)phenyl]propan-1-one

C24H38O4Si3 — CID 528420

IUPAC1-phenyl-3-[2,4,6-tris(trimethylsilyloxy)phenyl]propan-1-one
SMILESC[Si](C)(C)Oc1cc(O[Si](C)(C)C)c(CCC(=O)c2ccccc2)c(O[Si](C)(C)C)c1
InChIInChI=1S/C24H38O4Si3/c1-29(2,3)26-20-17-23(27-30(4,5)6)21(24(18-20)28-31(7,8)9)15-16-22(25)19-13-11-10-12-14-19/h10-14,17-18H,15-16H2,1-9H3
InChIKeyZYBAQBXRVHCGHQ-UHFFFAOYSA-N
MW474.82 g/mol
LogP7.14
Rot. Bonds10

About 1-phenyl-3-[2,4,6-tris(trimethylsilyloxy)phenyl]propan-1-one

1-phenyl-3-[2,4,6-tris(trimethylsilyloxy)phenyl]propan-1-one (PubChem CID 528420) has the molecular formula C24H38O4Si3 and a molecular weight of 474.82 g/mol. Its IUPAC name is 1-phenyl-3-[2,4,6-tris(trimethylsilyloxy)phenyl]propan-1-one.

Molecular Properties

Compound Name1-phenyl-3-[2,4,6-tris(trimethylsilyloxy)phenyl]propan-1-one
PubChem CID528420
Molecular FormulaC24H38O4Si3
Molecular Weight474.82 g/mol
Exact Mass474.21
IUPAC Name1-phenyl-3-[2,4,6-tris(trimethylsilyloxy)phenyl]propan-1-one
SMILESC[Si](C)(C)Oc1cc(O[Si](C)(C)C)c(CCC(=O)c2ccccc2)c(O[Si](C)(C)C)c1
InChIInChI=1S/C24H38O4Si3/c1-29(2,3)26-20-17-23(27-30(4,5)6)21(24(18-20)28-31(7,8)9)15-16-22(25)19-13-11-10-12-14-19/h10-14,17-18H,15-16H2,1-9H3
InChIKeyZYBAQBXRVHCGHQ-UHFFFAOYSA-N
XLogP7.14
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.82
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-bromo-5-methoxyphenyl)-1-phenylpropan-1-one
CID 11392992
3-(5-fluoro-2-methoxyphenyl)-1-phenylpropan-1-one
CID 82782955
3-(2,6-dihydroxy-3-methylphenyl)-1-phenylpropan-1-one
CID 171615161
2-(2,4-dimethoxyphenyl)-1-phenylethanone
CID 10467591
1,4-diphenyl-4-trimethylsilyloxyiminobutan-1-one
CID 88532056
1-phenylbutan-1-one
CID 10315
3-methoxy-1-phenylpropan-1-one
CID 10942788
1-phenyl(111C)propan-1-one
CID 11159350
1-(3-trimethylsilyloxyphenyl)ethanone
CID 606413
1-(3,5-dimethoxyphenyl)-3-phenylpropane-1,3-dione
CID 91159329
3-(5-ethylthiophen-2-yl)-1-phenylpropan-1-one
CID 43175810
3-(3-methylphenyl)-1-phenylpropan-1-one
CID 24725661

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[2,4,6-tris(trimethylsilyloxy)phenyl]propan-1-one?
The IUPAC name of 1-phenyl-3-[2,4,6-tris(trimethylsilyloxy)phenyl]propan-1-one (CID 528420) is 1-phenyl-3-[2,4,6-tris(trimethylsilyloxy)phenyl]propan-1-one.
What is the SMILES notation for 1-phenyl-3-[2,4,6-tris(trimethylsilyloxy)phenyl]propan-1-one?
The canonical SMILES for 1-phenyl-3-[2,4,6-tris(trimethylsilyloxy)phenyl]propan-1-one is C[Si](C)(C)Oc1cc(O[Si](C)(C)C)c(CCC(=O)c2ccccc2)c(O[Si](C)(C)C)c1.
What is the InChIKey of 1-phenyl-3-[2,4,6-tris(trimethylsilyloxy)phenyl]propan-1-one?
The InChIKey is ZYBAQBXRVHCGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O4Si3/c1-29(2,3)26-20-17-23(27-30(4,5)6)21(24(18-20)28-31(7,8)9)15-16-22(25)19-13-11-10-12-14-19/h10-14,17-18H,15-16H2,1-9H3.
What are the key properties of 1-phenyl-3-[2,4,6-tris(trimethylsilyloxy)phenyl]propan-1-one?
1-phenyl-3-[2,4,6-tris(trimethylsilyloxy)phenyl]propan-1-one has a molecular weight of 474.82 g/mol, XLogP of 7.14, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[2,4,6-tris(trimethylsilyloxy)phenyl]propan-1-one is sourced from PubChem (CID 528420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).