7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one

C31H28O5Si — CID 54322153

IUPAC7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
SMILESCC(C)(C)[Si](Oc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H28O5Si/c1-31(2,3)37(24-10-6-4-7-11-24,25-12-8-5-9-13-25)36-23-18-27(33)29-28(19-23)35-20-26(30(29)34)21-14-16-22(32)17-15-21/h4-20,32-33H,1-3H3
InChIKeySSKAXEWBYHTFBV-UHFFFAOYSA-N
MW508.65 g/mol
LogP5.81
Rot. Bonds5

About 7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one

7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one (PubChem CID 54322153) has the molecular formula C31H28O5Si and a molecular weight of 508.65 g/mol. Its IUPAC name is 7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one.

Molecular Properties

Compound Name7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
PubChem CID54322153
Molecular FormulaC31H28O5Si
Molecular Weight508.65 g/mol
Exact Mass508.17
IUPAC Name7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
SMILESCC(C)(C)[Si](Oc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H28O5Si/c1-31(2,3)37(24-10-6-4-7-11-24,25-12-8-5-9-13-25)36-23-18-27(33)29-28(19-23)35-20-26(30(29)34)21-14-16-22(32)17-15-21/h4-20,32-33H,1-3H3
InChIKeySSKAXEWBYHTFBV-UHFFFAOYSA-N
XLogP5.81
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.65
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-[tert-butyl(dimethyl)silyl]oxy-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-5-hydroxychromen-4-one
CID 11271963
(5-hydroxy-4-oxo-3-phenylchromen-7-yl) 2,2-dimethylpropanoate
CID 12017762
tert-butyl 2-[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyacetate
CID 67521570
CID 66722646
CID 66722646
CID 11341243
CID 11341243
calcium;5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;hydride
CID 173012040
3-(4-bromophenyl)-7-ethoxy-5-hydroxychromen-4-one
CID 154926299
7-[4-(diethylamino)butoxy]-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
CID 54675067
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid
CID 15940724
[5-hydroxy-3-(4-nitrophenyl)-4-oxochromen-7-yl] formate
CID 15731457
3-(4-chlorophenyl)-5,7-dihydroxychromen-4-one
CID 5398360
5-hydroxy-3-(4-hydroxyphenyl)-7-(3-imidazol-1-ylpropoxy)chromen-4-one
CID 24971216

Frequently Asked Questions

What is the IUPAC name of 7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one?
The IUPAC name of 7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one (CID 54322153) is 7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one.
What is the SMILES notation for 7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one?
The canonical SMILES for 7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one is CC(C)(C)[Si](Oc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one?
The InChIKey is SSKAXEWBYHTFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28O5Si/c1-31(2,3)37(24-10-6-4-7-11-24,25-12-8-5-9-13-25)36-23-18-27(33)29-28(19-23)35-20-26(30(29)34)21-14-16-22(32)17-15-21/h4-20,32-33H,1-3H3.
What are the key properties of 7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one?
7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one has a molecular weight of 508.65 g/mol, XLogP of 5.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one is sourced from PubChem (CID 54322153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).