[1-(5-bromo-3,4-dimethoxy-2-methylphenyl)-2-methylpropan-2-yl]-hydroxy-diphenylsilane

C25H29BrO3Si — CID 89128924

IUPAC[1-(5-bromo-3,4-dimethoxy-2-methylphenyl)-2-methylpropan-2-yl]-hydroxy-diphenylsilane
SMILESCOc1c(Br)cc(CC(C)(C)[Si](O)(c2ccccc2)c2ccccc2)c(C)c1OC
InChIInChI=1S/C25H29BrO3Si/c1-18-19(16-22(26)24(29-5)23(18)28-4)17-25(2,3)30(27,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-16,27H,17H2,1-5H3
InChIKeyXLYFETOUOZMZLJ-UHFFFAOYSA-N
MW485.49 g/mol
LogP4.85
Rot. Bonds7

About [1-(5-bromo-3,4-dimethoxy-2-methylphenyl)-2-methylpropan-2-yl]-hydroxy-diphenylsilane

[1-(5-bromo-3,4-dimethoxy-2-methylphenyl)-2-methylpropan-2-yl]-hydroxy-diphenylsilane (PubChem CID 89128924) has the molecular formula C25H29BrO3Si and a molecular weight of 485.49 g/mol. Its IUPAC name is [1-(5-bromo-3,4-dimethoxy-2-methylphenyl)-2-methylpropan-2-yl]-hydroxy-diphenylsilane.

Molecular Properties

Compound Name[1-(5-bromo-3,4-dimethoxy-2-methylphenyl)-2-methylpropan-2-yl]-hydroxy-diphenylsilane
PubChem CID89128924
Molecular FormulaC25H29BrO3Si
Molecular Weight485.49 g/mol
Exact Mass484.11
IUPAC Name[1-(5-bromo-3,4-dimethoxy-2-methylphenyl)-2-methylpropan-2-yl]-hydroxy-diphenylsilane
SMILESCOc1c(Br)cc(CC(C)(C)[Si](O)(c2ccccc2)c2ccccc2)c(C)c1OC
InChIInChI=1S/C25H29BrO3Si/c1-18-19(16-22(26)24(29-5)23(18)28-4)17-25(2,3)30(27,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-16,27H,17H2,1-5H3
InChIKeyXLYFETOUOZMZLJ-UHFFFAOYSA-N
XLogP4.85
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.49
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-bromo-3,4-dimethoxy-2-methylphenyl)acetic acid
CID 117466771
(5-bromo-3,4-dimethoxy-2-methylphenyl)methanol
CID 84710424
methoxymethyl 3-ethyl-4-[2-hydroxy-4-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]-3,6-dimethylbenzoyl]oxy-2,5,6-trimethylbenzoate
CID 176829173
1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine
CID 117486842
6-(2-amino-2-methylpropyl)-4-bromo-3-methoxy-2-methylphenol
CID 117465337
1-(3,4-dimethoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine
CID 117347561
3-bromo-2-methoxy-1-methylnaphthalene
CID 97036456
12-[hydroxy(diphenyl)silyl]-12-methyltridecan-1-ol
CID 67477526
2-(4-bromo-2,3-dimethoxy-6-methylphenyl)propan-2-ol
CID 117466975
4-(2-amino-2-methylpropyl)-2-methoxy-3,6-dimethylphenol
CID 117320492
N-[(5-bromo-2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 96709381
5-[hydroxy(diphenyl)silyl]-5-methyl-1-sulfanylhexan-2-ol
CID 89193381

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-3,4-dimethoxy-2-methylphenyl)-2-methylpropan-2-yl]-hydroxy-diphenylsilane?
The IUPAC name of [1-(5-bromo-3,4-dimethoxy-2-methylphenyl)-2-methylpropan-2-yl]-hydroxy-diphenylsilane (CID 89128924) is [1-(5-bromo-3,4-dimethoxy-2-methylphenyl)-2-methylpropan-2-yl]-hydroxy-diphenylsilane.
What is the SMILES notation for [1-(5-bromo-3,4-dimethoxy-2-methylphenyl)-2-methylpropan-2-yl]-hydroxy-diphenylsilane?
The canonical SMILES for [1-(5-bromo-3,4-dimethoxy-2-methylphenyl)-2-methylpropan-2-yl]-hydroxy-diphenylsilane is COc1c(Br)cc(CC(C)(C)[Si](O)(c2ccccc2)c2ccccc2)c(C)c1OC.
What is the InChIKey of [1-(5-bromo-3,4-dimethoxy-2-methylphenyl)-2-methylpropan-2-yl]-hydroxy-diphenylsilane?
The InChIKey is XLYFETOUOZMZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29BrO3Si/c1-18-19(16-22(26)24(29-5)23(18)28-4)17-25(2,3)30(27,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-16,27H,17H2,1-5H3.
What are the key properties of [1-(5-bromo-3,4-dimethoxy-2-methylphenyl)-2-methylpropan-2-yl]-hydroxy-diphenylsilane?
[1-(5-bromo-3,4-dimethoxy-2-methylphenyl)-2-methylpropan-2-yl]-hydroxy-diphenylsilane has a molecular weight of 485.49 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-3,4-dimethoxy-2-methylphenyl)-2-methylpropan-2-yl]-hydroxy-diphenylsilane is sourced from PubChem (CID 89128924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).