2-(2-methoxy-5-nitrophenyl)ethynyl-trimethylsilane

C12H15NO3Si — CID 142387759

IUPAC2-(2-methoxy-5-nitrophenyl)ethynyl-trimethylsilane
SMILESCOc1ccc([N+](=O)[O-])cc1C#C[Si](C)(C)C
InChIInChI=1S/C12H15NO3Si/c1-16-12-6-5-11(13(14)15)9-10(12)7-8-17(2,3)4/h5-6,9H,1-4H3
InChIKeySVAXMBLZFNALGA-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.83
Rot. Bonds2

About 2-(2-methoxy-5-nitrophenyl)ethynyl-trimethylsilane

2-(2-methoxy-5-nitrophenyl)ethynyl-trimethylsilane (PubChem CID 142387759) has the molecular formula C12H15NO3Si and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-(2-methoxy-5-nitrophenyl)ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-(2-methoxy-5-nitrophenyl)ethynyl-trimethylsilane
PubChem CID142387759
Molecular FormulaC12H15NO3Si
Molecular Weight249.34 g/mol
Exact Mass249.08
IUPAC Name2-(2-methoxy-5-nitrophenyl)ethynyl-trimethylsilane
SMILESCOc1ccc([N+](=O)[O-])cc1C#C[Si](C)(C)C
InChIInChI=1S/C12H15NO3Si/c1-16-12-6-5-11(13(14)15)9-10(12)7-8-17(2,3)4/h5-6,9H,1-4H3
InChIKeySVAXMBLZFNALGA-UHFFFAOYSA-N
XLogP2.83
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-(2-methoxy-5-nitrophenyl)ethynyl-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methoxy-5-nitrophenyl)prop-2-yn-1-ol
CID 169485541
4-(2-methoxy-5-nitrophenyl)but-3-ynenitrile
CID 170475501
2-[3,6-dimethoxy-7-(2-trimethylsilylethynyl)naphthalen-2-yl]ethynyl-trimethylsilane
CID 169050071
2-(2-methoxy-6-nitrophenyl)ethynyl-trimethylsilane
CID 165354100
(2R)-2-(2-methoxy-5-nitrophenoxy)propanenitrile
CID 8946929
sodium;hydride;2-methoxy-5-nitrophenol
CID 173002361
2-methoxy-4-nitrobenzenethiol
CID 22148741
2-methoxy-1-[(R)-methylsulfinyl]-4-nitrobenzene
CID 125486779
2-fluoro-4-nitro-6-(2-trimethylsilylethynyl)aniline
CID 154776252
2-(2-methoxy-5-nitrophenoxy)acetonitrile
CID 8946731
ethane;2-methoxy-4-nitrophenol
CID 91188946
2-methoxy-5-nitrobenzoic acid;zinc
CID 67791241

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-nitrophenyl)ethynyl-trimethylsilane?
The IUPAC name of 2-(2-methoxy-5-nitrophenyl)ethynyl-trimethylsilane (CID 142387759) is 2-(2-methoxy-5-nitrophenyl)ethynyl-trimethylsilane.
What is the SMILES notation for 2-(2-methoxy-5-nitrophenyl)ethynyl-trimethylsilane?
The canonical SMILES for 2-(2-methoxy-5-nitrophenyl)ethynyl-trimethylsilane is COc1ccc([N+](=O)[O-])cc1C#C[Si](C)(C)C.
What is the InChIKey of 2-(2-methoxy-5-nitrophenyl)ethynyl-trimethylsilane?
The InChIKey is SVAXMBLZFNALGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3Si/c1-16-12-6-5-11(13(14)15)9-10(12)7-8-17(2,3)4/h5-6,9H,1-4H3.
What are the key properties of 2-(2-methoxy-5-nitrophenyl)ethynyl-trimethylsilane?
2-(2-methoxy-5-nitrophenyl)ethynyl-trimethylsilane has a molecular weight of 249.34 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-nitrophenyl)ethynyl-trimethylsilane is sourced from PubChem (CID 142387759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).