1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenylbutan-1-one

C22H30O2Si — CID 70670904

IUPAC1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenylbutan-1-one
SMILESCCC(C(=O)c1ccc(O[Si](C)(C)C(C)(C)C)cc1)c1ccccc1
InChIInChI=1S/C22H30O2Si/c1-7-20(17-11-9-8-10-12-17)21(23)18-13-15-19(16-14-18)24-25(5,6)22(2,3)4/h8-16,20H,7H2,1-6H3
InChIKeyOCFWQQUEBYLIOW-UHFFFAOYSA-N
MW354.57 g/mol
LogP6.45
Rot. Bonds6

About 1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenylbutan-1-one

1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenylbutan-1-one (PubChem CID 70670904) has the molecular formula C22H30O2Si and a molecular weight of 354.57 g/mol. Its IUPAC name is 1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenylbutan-1-one.

Molecular Properties

Compound Name1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenylbutan-1-one
PubChem CID70670904
Molecular FormulaC22H30O2Si
Molecular Weight354.57 g/mol
Exact Mass354.20
IUPAC Name1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenylbutan-1-one
SMILESCCC(C(=O)c1ccc(O[Si](C)(C)C(C)(C)C)cc1)c1ccccc1
InChIInChI=1S/C22H30O2Si/c1-7-20(17-11-9-8-10-12-17)21(23)18-13-15-19(16-14-18)24-25(5,6)22(2,3)4/h8-16,20H,7H2,1-6H3
InChIKeyOCFWQQUEBYLIOW-UHFFFAOYSA-N
XLogP6.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.57
LogP ≤ 56.45
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

(2R)-1-(4-hydroxyphenyl)-2-phenylbutan-1-one
CID 914909
1-(4-cyclopropyloxyphenyl)-2-phenylbutan-1-one
CID 115812788
(2S)-2-(4-methoxyphenyl)-1-phenylbutan-1-one
CID 93090141
1-(4-iodophenyl)-2-phenylbutan-1-one
CID 11772471
1,2-bis(4-phenylmethoxyphenyl)butan-1-one
CID 70452916
1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-[2-(2-iodophenyl)ethyl-methylamino]-2-phenylethanone
CID 101417676
1-[4-[3-(diethylamino)propoxy]phenyl]-2-phenylbutan-1-one
CID 70452860
3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-oxo-4-phenylmethoxybutanoic acid
CID 68833938
ethyl 4-[tert-butyl(dimethyl)silyl]oxybenzoate
CID 11289003
2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxyacetic acid
CID 167729087
[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-methyl-1-oxobutan-2-yl]carbamic acid
CID 67570149
4-[tert-butyl(dimethyl)silyl]oxy-N,N-diethylbenzamide
CID 58586309

Frequently Asked Questions

What is the IUPAC name of 1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenylbutan-1-one?
The IUPAC name of 1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenylbutan-1-one (CID 70670904) is 1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenylbutan-1-one.
What is the SMILES notation for 1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenylbutan-1-one?
The canonical SMILES for 1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenylbutan-1-one is CCC(C(=O)c1ccc(O[Si](C)(C)C(C)(C)C)cc1)c1ccccc1.
What is the InChIKey of 1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenylbutan-1-one?
The InChIKey is OCFWQQUEBYLIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O2Si/c1-7-20(17-11-9-8-10-12-17)21(23)18-13-15-19(16-14-18)24-25(5,6)22(2,3)4/h8-16,20H,7H2,1-6H3.
What are the key properties of 1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenylbutan-1-one?
1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenylbutan-1-one has a molecular weight of 354.57 g/mol, XLogP of 6.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenylbutan-1-one is sourced from PubChem (CID 70670904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).