2-hydroxy-2-(2-oxo-2-phenyl-1-trimethylsilylethyl)-5-phenylfuran-3-one

C21H22O4Si — CID 3116079

IUPAC2-hydroxy-2-(2-oxo-2-phenyl-1-trimethylsilylethyl)-5-phenylfuran-3-one
SMILESC[Si](C)(C)C(C(=O)c1ccccc1)C1(O)OC(c2ccccc2)=CC1=O
InChIInChI=1S/C21H22O4Si/c1-26(2,3)20(19(23)16-12-8-5-9-13-16)21(24)18(22)14-17(25-21)15-10-6-4-7-11-15/h4-14,20,24H,1-3H3
InChIKeyPKNPOFXVADWANA-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.91
Rot. Bonds5

About 2-hydroxy-2-(2-oxo-2-phenyl-1-trimethylsilylethyl)-5-phenylfuran-3-one

2-hydroxy-2-(2-oxo-2-phenyl-1-trimethylsilylethyl)-5-phenylfuran-3-one (PubChem CID 3116079) has the molecular formula C21H22O4Si and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-hydroxy-2-(2-oxo-2-phenyl-1-trimethylsilylethyl)-5-phenylfuran-3-one.

Molecular Properties

Compound Name2-hydroxy-2-(2-oxo-2-phenyl-1-trimethylsilylethyl)-5-phenylfuran-3-one
PubChem CID3116079
Molecular FormulaC21H22O4Si
Molecular Weight366.49 g/mol
Exact Mass366.13
IUPAC Name2-hydroxy-2-(2-oxo-2-phenyl-1-trimethylsilylethyl)-5-phenylfuran-3-one
SMILESC[Si](C)(C)C(C(=O)c1ccccc1)C1(O)OC(c2ccccc2)=CC1=O
InChIInChI=1S/C21H22O4Si/c1-26(2,3)20(19(23)16-12-8-5-9-13-16)21(24)18(22)14-17(25-21)15-10-6-4-7-11-15/h4-14,20,24H,1-3H3
InChIKeyPKNPOFXVADWANA-UHFFFAOYSA-N
XLogP3.91
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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2-iodo-2-methylsulfonyl-1-(4-phenylphenyl)ethanone
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3-(methylamino)-4-oxo-4-phenylbutanoic acid
CID 82322276
2-hydroxy-1,2-diphenylethanone
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(3S)-3-methyl-4-oxo-4-phenylbutanoic acid
CID 51900528
3-methyl-4-oxo-4-phenylbutanoic acid
CID 12559087
(1-oxo-1-phenylpropan-2-yl) 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
CID 11837743
3-(ethylamino)-4-oxo-4-(4-phenylphenyl)butanoic acid
CID 82348090
3-hydroxy-2,4-dimethyl-1-(4-phenylphenyl)pentan-1-one
CID 134942515
dimethyl 2-(4-phenylbenzoyl)propanedioate
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1-[4-(aminomethyl)phenyl]-2-methyl-3-phenylpropane-1,3-dione
CID 150157788

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(2-oxo-2-phenyl-1-trimethylsilylethyl)-5-phenylfuran-3-one?
The IUPAC name of 2-hydroxy-2-(2-oxo-2-phenyl-1-trimethylsilylethyl)-5-phenylfuran-3-one (CID 3116079) is 2-hydroxy-2-(2-oxo-2-phenyl-1-trimethylsilylethyl)-5-phenylfuran-3-one.
What is the SMILES notation for 2-hydroxy-2-(2-oxo-2-phenyl-1-trimethylsilylethyl)-5-phenylfuran-3-one?
The canonical SMILES for 2-hydroxy-2-(2-oxo-2-phenyl-1-trimethylsilylethyl)-5-phenylfuran-3-one is C[Si](C)(C)C(C(=O)c1ccccc1)C1(O)OC(c2ccccc2)=CC1=O.
What is the InChIKey of 2-hydroxy-2-(2-oxo-2-phenyl-1-trimethylsilylethyl)-5-phenylfuran-3-one?
The InChIKey is PKNPOFXVADWANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O4Si/c1-26(2,3)20(19(23)16-12-8-5-9-13-16)21(24)18(22)14-17(25-21)15-10-6-4-7-11-15/h4-14,20,24H,1-3H3.
What are the key properties of 2-hydroxy-2-(2-oxo-2-phenyl-1-trimethylsilylethyl)-5-phenylfuran-3-one?
2-hydroxy-2-(2-oxo-2-phenyl-1-trimethylsilylethyl)-5-phenylfuran-3-one has a molecular weight of 366.49 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(2-oxo-2-phenyl-1-trimethylsilylethyl)-5-phenylfuran-3-one is sourced from PubChem (CID 3116079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).