3-[dimethyl(phenyl)silyl]-1,3-diphenylpropan-1-one

C23H24OSi — CID 584995

IUPAC3-[dimethyl(phenyl)silyl]-1,3-diphenylpropan-1-one
SMILESC[Si](C)(c1ccccc1)C(CC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24OSi/c1-25(2,21-16-10-5-11-17-21)23(20-14-8-4-9-15-20)18-22(24)19-12-6-3-7-13-19/h3-17,23H,18H2,1-2H3
InChIKeyBAGFORDIVMFSTQ-UHFFFAOYSA-N
MW344.53 g/mol
LogP5.20
Rot. Bonds6

About 3-[dimethyl(phenyl)silyl]-1,3-diphenylpropan-1-one

3-[dimethyl(phenyl)silyl]-1,3-diphenylpropan-1-one (PubChem CID 584995) has the molecular formula C23H24OSi and a molecular weight of 344.53 g/mol. Its IUPAC name is 3-[dimethyl(phenyl)silyl]-1,3-diphenylpropan-1-one.

Molecular Properties

Compound Name3-[dimethyl(phenyl)silyl]-1,3-diphenylpropan-1-one
PubChem CID584995
Molecular FormulaC23H24OSi
Molecular Weight344.53 g/mol
Exact Mass344.16
IUPAC Name3-[dimethyl(phenyl)silyl]-1,3-diphenylpropan-1-one
SMILESC[Si](C)(c1ccccc1)C(CC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24OSi/c1-25(2,21-16-10-5-11-17-21)23(20-14-8-4-9-15-20)18-22(24)19-12-6-3-7-13-19/h3-17,23H,18H2,1-2H3
InChIKeyBAGFORDIVMFSTQ-UHFFFAOYSA-N
XLogP5.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.53
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1,3-diphenylpentane-1,4-dione
CID 90658388
3-benzhydryl-1-phenylpentane-1,4-dione
CID 15122089
(4R)-4-[dimethyl(phenyl)silyl]-4-[4-(trifluoromethyl)phenyl]butan-2-one
CID 16757036
1-[dimethyl(phenyl)silyl]-1-phenylpropan-2-one
CID 146161942
(3R)-1,3-diphenylpentan-1-one
CID 11042799
(3S,4R)-1,3,4-triphenylpentan-1-one
CID 101039537
3-phenacyl-1,5-diphenylpentane-1,5-dione
CID 10547136
(2S)-4-oxo-2,4-diphenylbutanoic acid
CID 6950859
dimethyl 2-[(2R,4R)-4-[dimethyl(phenyl)silyl]-4-phenylbutan-2-yl]propanedioate
CID 10620909
3-methyl-1-phenyl-4-trimethylsilylbutan-1-one
CID 101447394
(3R)-3-hydroxy-1-phenylbutan-1-one
CID 5324981
3,4-dimethyl-1-phenylpentan-1-one
CID 24976524

Frequently Asked Questions

What is the IUPAC name of 3-[dimethyl(phenyl)silyl]-1,3-diphenylpropan-1-one?
The IUPAC name of 3-[dimethyl(phenyl)silyl]-1,3-diphenylpropan-1-one (CID 584995) is 3-[dimethyl(phenyl)silyl]-1,3-diphenylpropan-1-one.
What is the SMILES notation for 3-[dimethyl(phenyl)silyl]-1,3-diphenylpropan-1-one?
The canonical SMILES for 3-[dimethyl(phenyl)silyl]-1,3-diphenylpropan-1-one is C[Si](C)(c1ccccc1)C(CC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[dimethyl(phenyl)silyl]-1,3-diphenylpropan-1-one?
The InChIKey is BAGFORDIVMFSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24OSi/c1-25(2,21-16-10-5-11-17-21)23(20-14-8-4-9-15-20)18-22(24)19-12-6-3-7-13-19/h3-17,23H,18H2,1-2H3.
What are the key properties of 3-[dimethyl(phenyl)silyl]-1,3-diphenylpropan-1-one?
3-[dimethyl(phenyl)silyl]-1,3-diphenylpropan-1-one has a molecular weight of 344.53 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethyl(phenyl)silyl]-1,3-diphenylpropan-1-one is sourced from PubChem (CID 584995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).