[5-[(E)-2-(3-bromo-4,5-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]-tert-butyl-diphenylsilane

C33H35BrO4Si — CID 11635755

IUPAC[5-[(E)-2-(3-bromo-4,5-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]-tert-butyl-diphenylsilane
SMILESCOc1ccc(/C=C/c2cc(Br)c(OC)c(OC)c2)cc1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C33H35BrO4Si/c1-33(2,3)39(26-13-9-7-10-14-26,27-15-11-8-12-16-27)38-30-22-24(19-20-29(30)35-4)17-18-25-21-28(34)32(37-6)31(23-25)36-5/h7-23H,1-6H3/b18-17+
InChIKeyWHEJSSIWTROCJZ-ISLYRVAYSA-N
MW603.63 g/mol
LogP7.58
Rot. Bonds9

About [5-[(E)-2-(3-bromo-4,5-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]-tert-butyl-diphenylsilane

[5-[(E)-2-(3-bromo-4,5-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]-tert-butyl-diphenylsilane (PubChem CID 11635755) has the molecular formula C33H35BrO4Si and a molecular weight of 603.63 g/mol. Its IUPAC name is [5-[(E)-2-(3-bromo-4,5-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[5-[(E)-2-(3-bromo-4,5-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]-tert-butyl-diphenylsilane
PubChem CID11635755
Molecular FormulaC33H35BrO4Si
Molecular Weight603.63 g/mol
Exact Mass602.15
IUPAC Name[5-[(E)-2-(3-bromo-4,5-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]-tert-butyl-diphenylsilane
SMILESCOc1ccc(/C=C/c2cc(Br)c(OC)c(OC)c2)cc1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C33H35BrO4Si/c1-33(2,3)39(26-13-9-7-10-14-26,27-15-11-8-12-16-27)38-30-22-24(19-20-29(30)35-4)17-18-25-21-28(34)32(37-6)31(23-25)36-5/h7-23H,1-6H3/b18-17+
InChIKeyWHEJSSIWTROCJZ-ISLYRVAYSA-N
XLogP7.58
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.63
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bromo-[[3-[tert-butyl(diphenyl)silyl]oxy-4-methoxyphenyl]methyl]-triphenyl-λ5-phosphane;tert-butyl-[5-[(Z)-2-[3-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethoxyphenyl]ethenyl]-2-methoxyphenoxy]-diphenylsilane
CID 158729815
tert-butyl-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane
CID 5386557
4-[tert-butyl(diphenyl)silyl]oxy-3-methoxybenzaldehyde
CID 11395179
tert-butyl-[5-[(E)-2-(3-iodo-4,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]-diphenylsilane
CID 87610939
tert-butyl-[5-[(Z)-2-(3,4-dimethoxy-5-nitrophenyl)ethenyl]-2-methoxyphenoxy]-dimethylsilane
CID 59904656
bromo-[[3-[tert-butyl(diphenyl)silyl]oxy-4-methoxyphenyl]methyl]-phosphanylphosphane;ethane
CID 91177193
(3-bromonaphthalen-2-yl)oxy-tert-butyl-diphenylsilane
CID 101484237
(NZ)-N-[(3-bromo-4,5-dimethoxyphenyl)methylidene]benzenesulfonamide
CID 110518789
5-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-2,3-dimethoxyphenol
CID 5386528
tert-butyl-[5-[(Z)-2-(4,7-dimethoxy-1,3-benzodioxol-5-yl)ethenyl]-2-methoxyphenoxy]-dimethylsilane
CID 50900668
tert-butyl-[3-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]propoxy]-dimethylsilane
CID 11156035
N-[2-amino-5-[tert-butyl(diphenyl)silyl]oxy-4-methoxyphenyl]formamide
CID 58622914

Frequently Asked Questions

What is the IUPAC name of [5-[(E)-2-(3-bromo-4,5-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]-tert-butyl-diphenylsilane?
The IUPAC name of [5-[(E)-2-(3-bromo-4,5-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]-tert-butyl-diphenylsilane (CID 11635755) is [5-[(E)-2-(3-bromo-4,5-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]-tert-butyl-diphenylsilane.
What is the SMILES notation for [5-[(E)-2-(3-bromo-4,5-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]-tert-butyl-diphenylsilane?
The canonical SMILES for [5-[(E)-2-(3-bromo-4,5-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]-tert-butyl-diphenylsilane is COc1ccc(/C=C/c2cc(Br)c(OC)c(OC)c2)cc1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of [5-[(E)-2-(3-bromo-4,5-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]-tert-butyl-diphenylsilane?
The InChIKey is WHEJSSIWTROCJZ-ISLYRVAYSA-N. The full InChI is InChI=1S/C33H35BrO4Si/c1-33(2,3)39(26-13-9-7-10-14-26,27-15-11-8-12-16-27)38-30-22-24(19-20-29(30)35-4)17-18-25-21-28(34)32(37-6)31(23-25)36-5/h7-23H,1-6H3/b18-17+.
What are the key properties of [5-[(E)-2-(3-bromo-4,5-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]-tert-butyl-diphenylsilane?
[5-[(E)-2-(3-bromo-4,5-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]-tert-butyl-diphenylsilane has a molecular weight of 603.63 g/mol, XLogP of 7.58, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(E)-2-(3-bromo-4,5-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]-tert-butyl-diphenylsilane is sourced from PubChem (CID 11635755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).