2-hydroxy-2-phenyl-1-[2-(2-triethoxysilylethyl)phenyl]ethanone;2-propan-2-yloxypropane

C28H44O6Si — CID 19070360

IUPAC2-hydroxy-2-phenyl-1-[2-(2-triethoxysilylethyl)phenyl]ethanone;2-propan-2-yloxypropane
SMILESCC(C)OC(C)C.CCO[Si](CCc1ccccc1C(=O)C(O)c1ccccc1)(OCC)OCC
InChIInChI=1S/C22H30O5Si.C6H14O/c1-4-25-28(26-5-2,27-6-3)17-16-18-12-10-11-15-20(18)22(24)21(23)19-13-8-7-9-14-19;1-5(2)7-6(3)4/h7-15,21,23H,4-6,16-17H2,1-3H3;5-6H,1-4H3
InChIKeyMZJDDHGDKJPTSQ-UHFFFAOYSA-N
MW504.74 g/mol
LogP6.01
Rot. Bonds14

About 2-hydroxy-2-phenyl-1-[2-(2-triethoxysilylethyl)phenyl]ethanone;2-propan-2-yloxypropane

2-hydroxy-2-phenyl-1-[2-(2-triethoxysilylethyl)phenyl]ethanone;2-propan-2-yloxypropane (PubChem CID 19070360) has the molecular formula C28H44O6Si and a molecular weight of 504.74 g/mol. Its IUPAC name is 2-hydroxy-2-phenyl-1-[2-(2-triethoxysilylethyl)phenyl]ethanone;2-propan-2-yloxypropane.

Molecular Properties

Compound Name2-hydroxy-2-phenyl-1-[2-(2-triethoxysilylethyl)phenyl]ethanone;2-propan-2-yloxypropane
PubChem CID19070360
Molecular FormulaC28H44O6Si
Molecular Weight504.74 g/mol
Exact Mass504.29
IUPAC Name2-hydroxy-2-phenyl-1-[2-(2-triethoxysilylethyl)phenyl]ethanone;2-propan-2-yloxypropane
SMILESCC(C)OC(C)C.CCO[Si](CCc1ccccc1C(=O)C(O)c1ccccc1)(OCC)OCC
InChIInChI=1S/C22H30O5Si.C6H14O/c1-4-25-28(26-5-2,27-6-3)17-16-18-12-10-11-15-20(18)22(24)21(23)19-13-8-7-9-14-19;1-5(2)7-6(3)4/h7-15,21,23H,4-6,16-17H2,1-3H3;5-6H,1-4H3
InChIKeyMZJDDHGDKJPTSQ-UHFFFAOYSA-N
XLogP6.01
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.74
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-1,2-diphenylethanone;2-hydroxy-2-phenyl-1-(2-propylphenyl)ethanone
CID 159551981
2-[2-(2-hydroxy-2-phenylacetyl)phenyl]acetic acid
CID 69479306
1-(2-ethoxyphenyl)-2-hydroxy-2-phenylethanone
CID 22096604
phenyl-[2-(3-triethoxysilylpropyl)phenyl]methanone
CID 141118396
2-hydroxy-1-[2-(phenoxymethyl)phenyl]-2-phenylethanone
CID 118160863
2-hydroxy-1-(2-phenacylphenyl)-2-phenylethanone
CID 69188181
N-tert-butyl-1-[2-(2-triethoxysilylethyl)phenyl]ethanimine
CID 11810656
1-[3-methoxy-2-(2-triethoxysilylethyl)phenyl]ethanone
CID 86185871
2-hydroxy-2-phenyl-1-[2-(1-phenylethoxy)phenyl]ethanone
CID 175347432
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
dimethyl 4-(2-triethoxysilylethyl)benzene-1,3-dicarboxylate
CID 101047419
2-hydroxy-1-[2-(methylamino)phenyl]-2-phenylethanone
CID 67016946

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-phenyl-1-[2-(2-triethoxysilylethyl)phenyl]ethanone;2-propan-2-yloxypropane?
The IUPAC name of 2-hydroxy-2-phenyl-1-[2-(2-triethoxysilylethyl)phenyl]ethanone;2-propan-2-yloxypropane (CID 19070360) is 2-hydroxy-2-phenyl-1-[2-(2-triethoxysilylethyl)phenyl]ethanone;2-propan-2-yloxypropane.
What is the SMILES notation for 2-hydroxy-2-phenyl-1-[2-(2-triethoxysilylethyl)phenyl]ethanone;2-propan-2-yloxypropane?
The canonical SMILES for 2-hydroxy-2-phenyl-1-[2-(2-triethoxysilylethyl)phenyl]ethanone;2-propan-2-yloxypropane is CC(C)OC(C)C.CCO[Si](CCc1ccccc1C(=O)C(O)c1ccccc1)(OCC)OCC.
What is the InChIKey of 2-hydroxy-2-phenyl-1-[2-(2-triethoxysilylethyl)phenyl]ethanone;2-propan-2-yloxypropane?
The InChIKey is MZJDDHGDKJPTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O5Si.C6H14O/c1-4-25-28(26-5-2,27-6-3)17-16-18-12-10-11-15-20(18)22(24)21(23)19-13-8-7-9-14-19;1-5(2)7-6(3)4/h7-15,21,23H,4-6,16-17H2,1-3H3;5-6H,1-4H3.
What are the key properties of 2-hydroxy-2-phenyl-1-[2-(2-triethoxysilylethyl)phenyl]ethanone;2-propan-2-yloxypropane?
2-hydroxy-2-phenyl-1-[2-(2-triethoxysilylethyl)phenyl]ethanone;2-propan-2-yloxypropane has a molecular weight of 504.74 g/mol, XLogP of 6.01, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-phenyl-1-[2-(2-triethoxysilylethyl)phenyl]ethanone;2-propan-2-yloxypropane is sourced from PubChem (CID 19070360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).