methyl 2-[3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyphenyl]acetate

C25H28O4Si — CID 57443556

IUPACmethyl 2-[3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyphenyl]acetate
SMILESCOC(=O)Cc1cc(O)cc(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1
InChIInChI=1S/C25H28O4Si/c1-25(2,3)30(22-11-7-5-8-12-22,23-13-9-6-10-14-23)29-21-16-19(15-20(26)18-21)17-24(27)28-4/h5-16,18,26H,17H2,1-4H3
InChIKeyVDEDNZUFNRKOBP-UHFFFAOYSA-N
MW420.58 g/mol
LogP4.05
Rot. Bonds6

About methyl 2-[3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyphenyl]acetate

methyl 2-[3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyphenyl]acetate (PubChem CID 57443556) has the molecular formula C25H28O4Si and a molecular weight of 420.58 g/mol. Its IUPAC name is methyl 2-[3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyphenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyphenyl]acetate
PubChem CID57443556
Molecular FormulaC25H28O4Si
Molecular Weight420.58 g/mol
Exact Mass420.18
IUPAC Namemethyl 2-[3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyphenyl]acetate
SMILESCOC(=O)Cc1cc(O)cc(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1
InChIInChI=1S/C25H28O4Si/c1-25(2,3)30(22-11-7-5-8-12-22,23-13-9-6-10-14-23)29-21-16-19(15-20(26)18-21)17-24(27)28-4/h5-16,18,26H,17H2,1-4H3
InChIKeyVDEDNZUFNRKOBP-UHFFFAOYSA-N
XLogP4.05
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.58
LogP ≤ 54.05
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

methyl 2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]acetate
CID 11258393
methyl 2-[3-hydroxy-5-(trifluoromethoxy)phenyl]acetate
CID 170997161
methyl 3-[tert-butyl(diphenyl)silyl]oxybutanoate;sulfane
CID 161259126
methyl 6-[tert-butyl(diphenyl)silyl]oxynaphthalene-2-carboxylate
CID 14645565
methyl 2-[3-hydroxy-5-[2-tri(propan-2-yl)silyloxyethoxy]phenyl]acetate
CID 86613480
[tert-butyl(diphenyl)silyl] 2,2-dimethylpropanoate
CID 22445131
CID 172801156
CID 172801156
methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate
CID 11749095
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
tert-butyl-[4-(iodomethyl)phenoxy]-diphenylsilane
CID 135016093
methyl (2S)-2-[tert-butyl(diphenyl)silyl]oxy-3-phenylpropanoate
CID 11742789
[4-[tert-butyl(diphenyl)silyl]oxy-2,6-bis(ethenyl)phenyl] acetate
CID 102427831

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyphenyl]acetate?
The IUPAC name of methyl 2-[3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyphenyl]acetate (CID 57443556) is methyl 2-[3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyphenyl]acetate.
What is the SMILES notation for methyl 2-[3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyphenyl]acetate?
The canonical SMILES for methyl 2-[3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyphenyl]acetate is COC(=O)Cc1cc(O)cc(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1.
What is the InChIKey of methyl 2-[3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyphenyl]acetate?
The InChIKey is VDEDNZUFNRKOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O4Si/c1-25(2,3)30(22-11-7-5-8-12-22,23-13-9-6-10-14-23)29-21-16-19(15-20(26)18-21)17-24(27)28-4/h5-16,18,26H,17H2,1-4H3.
What are the key properties of methyl 2-[3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyphenyl]acetate?
methyl 2-[3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyphenyl]acetate has a molecular weight of 420.58 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyphenyl]acetate is sourced from PubChem (CID 57443556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).