[3-(2-methoxy-5-methylphenyl)-1,1-diphenylprop-2-ynoxy]-trimethylsilane

C26H28O2Si — CID 164665530

IUPAC[3-(2-methoxy-5-methylphenyl)-1,1-diphenylprop-2-ynoxy]-trimethylsilane
SMILESCOc1ccc(C)cc1C#CC(O[Si](C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H28O2Si/c1-21-16-17-25(27-2)22(20-21)18-19-26(28-29(3,4)5,23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-17,20H,1-5H3
InChIKeyMHWKCROTVIOIBS-UHFFFAOYSA-N
MW400.59 g/mol
LogP6.15
Rot. Bonds5

About [3-(2-methoxy-5-methylphenyl)-1,1-diphenylprop-2-ynoxy]-trimethylsilane

[3-(2-methoxy-5-methylphenyl)-1,1-diphenylprop-2-ynoxy]-trimethylsilane (PubChem CID 164665530) has the molecular formula C26H28O2Si and a molecular weight of 400.59 g/mol. Its IUPAC name is [3-(2-methoxy-5-methylphenyl)-1,1-diphenylprop-2-ynoxy]-trimethylsilane.

Molecular Properties

Compound Name[3-(2-methoxy-5-methylphenyl)-1,1-diphenylprop-2-ynoxy]-trimethylsilane
PubChem CID164665530
Molecular FormulaC26H28O2Si
Molecular Weight400.59 g/mol
Exact Mass400.19
IUPAC Name[3-(2-methoxy-5-methylphenyl)-1,1-diphenylprop-2-ynoxy]-trimethylsilane
SMILESCOc1ccc(C)cc1C#CC(O[Si](C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H28O2Si/c1-21-16-17-25(27-2)22(20-21)18-19-26(28-29(3,4)5,23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-17,20H,1-5H3
InChIKeyMHWKCROTVIOIBS-UHFFFAOYSA-N
XLogP6.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.59
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-methoxy-5-methylphenyl)-dimethyl-phenylsilane
CID 101027694
trimethyl(trityloxy)silane
CID 11067560
2-(1-chloro-2-methyl-2-phenylpropyl)-1-methoxy-4-methylbenzene
CID 63434775
1-methoxy-4-phenyl-2-(2-phenylethynyl)benzene
CID 68910717
1,2-bis[2-(2-methoxyphenyl)ethynyl]benzene
CID 11313747
2-[2-(2-methoxyphenyl)ethynyl]-5-methylpyridine
CID 68931360
4-chloro-1-methoxy-2-(2-phenylethynyl)benzene
CID 72711446
3-(2-methoxy-5-methylphenyl)-2-methyl-2-phenylpropan-1-amine
CID 82141632
[4-methyl-2-(2-phenylethynyl)phenyl] acetate
CID 10610675
4-(3,4-dimethoxyphenyl)-2-phenylbut-3-yn-2-ol
CID 146003165
N-[(2R)-1-amino-1-oxo-2-phenylpropan-2-yl]-2-methoxy-5-methylbenzamide
CID 97236307
1-(3-chloro-3-methylbut-1-ynyl)-2-methoxybenzene
CID 130055802

Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxy-5-methylphenyl)-1,1-diphenylprop-2-ynoxy]-trimethylsilane?
The IUPAC name of [3-(2-methoxy-5-methylphenyl)-1,1-diphenylprop-2-ynoxy]-trimethylsilane (CID 164665530) is [3-(2-methoxy-5-methylphenyl)-1,1-diphenylprop-2-ynoxy]-trimethylsilane.
What is the SMILES notation for [3-(2-methoxy-5-methylphenyl)-1,1-diphenylprop-2-ynoxy]-trimethylsilane?
The canonical SMILES for [3-(2-methoxy-5-methylphenyl)-1,1-diphenylprop-2-ynoxy]-trimethylsilane is COc1ccc(C)cc1C#CC(O[Si](C)(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of [3-(2-methoxy-5-methylphenyl)-1,1-diphenylprop-2-ynoxy]-trimethylsilane?
The InChIKey is MHWKCROTVIOIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O2Si/c1-21-16-17-25(27-2)22(20-21)18-19-26(28-29(3,4)5,23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-17,20H,1-5H3.
What are the key properties of [3-(2-methoxy-5-methylphenyl)-1,1-diphenylprop-2-ynoxy]-trimethylsilane?
[3-(2-methoxy-5-methylphenyl)-1,1-diphenylprop-2-ynoxy]-trimethylsilane has a molecular weight of 400.59 g/mol, XLogP of 6.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxy-5-methylphenyl)-1,1-diphenylprop-2-ynoxy]-trimethylsilane is sourced from PubChem (CID 164665530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).