2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]isoindole-1,3-dione

C20H23NO3Si — CID 101154942

IUPAC2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]isoindole-1,3-dione
SMILESCC(C)(C)[Si](C)(C)Oc1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C20H23NO3Si/c1-20(2,3)25(4,5)24-15-10-8-9-14(13-15)21-18(22)16-11-6-7-12-17(16)19(21)23/h6-13H,1-5H3
InChIKeyPZQJLTVOLMHCCT-UHFFFAOYSA-N
MW353.49 g/mol
LogP4.87
Rot. Bonds3

About 2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]isoindole-1,3-dione

2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]isoindole-1,3-dione (PubChem CID 101154942) has the molecular formula C20H23NO3Si and a molecular weight of 353.49 g/mol. Its IUPAC name is 2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]isoindole-1,3-dione
PubChem CID101154942
Molecular FormulaC20H23NO3Si
Molecular Weight353.49 g/mol
Exact Mass353.14
IUPAC Name2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]isoindole-1,3-dione
SMILESCC(C)(C)[Si](C)(C)Oc1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C20H23NO3Si/c1-20(2,3)25(4,5)24-15-10-8-9-14(13-15)21-18(22)16-11-6-7-12-17(16)19(21)23/h6-13H,1-5H3
InChIKeyPZQJLTVOLMHCCT-UHFFFAOYSA-N
XLogP4.87
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Phthalimide, N-(m-hydroxyphenyl)-
CID 187955
2-[4-[4-(3-Methoxyphenyl)piperazin-1-yl]butyl]isoindole-1,3-dione
CID 164628184
2-[5-[4-(3-Methoxyphenyl)piperazin-1-yl]pentyl]isoindole-1,3-dione
CID 164618082
2-[6-[4-(3-Methoxyphenyl)piperazin-1-yl]hexyl]isoindole-1,3-dione
CID 164621183
6-(1,3-dioxoisoindol-2-yl)-N-(3-hydroxyphenyl)hexanamide
CID 1572660
3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl acetate
CID 902548
5-Hydroxy-2-(3-hydroxyphenyl)isoindoline-1,3-dione
CID 19793984
2-[2-[4-(3-Methoxyphenyl)piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 8592397
3-(1,3-dioxoisoindolin-2-yl)-N-(3-hydroxyphenyl)benzamide
CID 45375909
5-fluoro-2-(3-methoxyphenyl)-1H-isoindole-1,3(2H)-dione
CID 3785997
2-(3-methoxyphenyl)-1H-isoindole-1,3(2H)-dione
CID 721999
2-(3-Hydroxyphenyl)-4-methylisoindole-1,3-dione
CID 53392606

Frequently Asked Questions

What is the IUPAC name of 2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]isoindole-1,3-dione (CID 101154942) is 2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]isoindole-1,3-dione is CC(C)(C)[Si](C)(C)Oc1cccc(N2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]isoindole-1,3-dione?
The InChIKey is PZQJLTVOLMHCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3Si/c1-20(2,3)25(4,5)24-15-10-8-9-14(13-15)21-18(22)16-11-6-7-12-17(16)19(21)23/h6-13H,1-5H3.
What are the key properties of 2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]isoindole-1,3-dione?
2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]isoindole-1,3-dione has a molecular weight of 353.49 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]isoindole-1,3-dione is sourced from PubChem (CID 101154942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).