1-[2-methoxy-5-(2-trimethylsilylethynyl)phenyl]ethanone

C14H18O2Si — CID 70149856

IUPAC1-[2-methoxy-5-(2-trimethylsilylethynyl)phenyl]ethanone
SMILESCOc1ccc(C#C[Si](C)(C)C)cc1C(C)=O
InChIInChI=1S/C14H18O2Si/c1-11(15)13-10-12(6-7-14(13)16-2)8-9-17(3,4)5/h6-7,10H,1-5H3
InChIKeyCYWILYRQZKIVAW-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.13
Rot. Bonds2

About 1-[2-methoxy-5-(2-trimethylsilylethynyl)phenyl]ethanone

1-[2-methoxy-5-(2-trimethylsilylethynyl)phenyl]ethanone (PubChem CID 70149856) has the molecular formula C14H18O2Si and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-[2-methoxy-5-(2-trimethylsilylethynyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-methoxy-5-(2-trimethylsilylethynyl)phenyl]ethanone
PubChem CID70149856
Molecular FormulaC14H18O2Si
Molecular Weight246.38 g/mol
Exact Mass246.11
IUPAC Name1-[2-methoxy-5-(2-trimethylsilylethynyl)phenyl]ethanone
SMILESCOc1ccc(C#C[Si](C)(C)C)cc1C(C)=O
InChIInChI=1S/C14H18O2Si/c1-11(15)13-10-12(6-7-14(13)16-2)8-9-17(3,4)5/h6-7,10H,1-5H3
InChIKeyCYWILYRQZKIVAW-UHFFFAOYSA-N
XLogP3.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.13
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-(3,4-dimethoxyphenyl)ethynyl-trimethylsilane
CID 11160666
4-[2-(3-acetyl-4-methoxyphenyl)ethynyl]benzoic acid
CID 15461922
methyl 2-hydroxy-5-(2-trimethylsilylethynyl)benzoate
CID 19423395
1-(5-bromo-2-methoxyphenyl)ethanone
CID 2757029
methyl 3-acetyl-4-methoxybenzoate
CID 10798398
methyl 2-[2-[2-acetamido-5-(2-trimethylsilylethynyl)phenyl]ethynyl]-4-(2-trimethylsilylethynyl)benzoate
CID 101224817
1-[2-[2-(4-methoxy-3-methylphenyl)ethynyl]phenyl]ethanone
CID 175203459
2-amino-N-(5-chloro-2-pyridinyl)-3-methoxy-5-(2-trimethylsilylethynyl)benzamide
CID 59020763
4-acetyl-3-methoxybenzonitrile
CID 70047109
1-[5-(2-trimethylsilylethynyl)-3-pyridinyl]ethanone
CID 172994129
(E)-3-(3-acetyl-4-methoxyphenyl)prop-2-enenitrile
CID 142143871
1-[5-(1-fluoroethyl)-2-methoxyphenyl]ethanone
CID 84666890

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-5-(2-trimethylsilylethynyl)phenyl]ethanone?
The IUPAC name of 1-[2-methoxy-5-(2-trimethylsilylethynyl)phenyl]ethanone (CID 70149856) is 1-[2-methoxy-5-(2-trimethylsilylethynyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-methoxy-5-(2-trimethylsilylethynyl)phenyl]ethanone?
The canonical SMILES for 1-[2-methoxy-5-(2-trimethylsilylethynyl)phenyl]ethanone is COc1ccc(C#C[Si](C)(C)C)cc1C(C)=O.
What is the InChIKey of 1-[2-methoxy-5-(2-trimethylsilylethynyl)phenyl]ethanone?
The InChIKey is CYWILYRQZKIVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2Si/c1-11(15)13-10-12(6-7-14(13)16-2)8-9-17(3,4)5/h6-7,10H,1-5H3.
What are the key properties of 1-[2-methoxy-5-(2-trimethylsilylethynyl)phenyl]ethanone?
1-[2-methoxy-5-(2-trimethylsilylethynyl)phenyl]ethanone has a molecular weight of 246.38 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-5-(2-trimethylsilylethynyl)phenyl]ethanone is sourced from PubChem (CID 70149856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).