phenyl-[4-(2-trimethylsilylethynyl)phenyl]methanone

C18H18OSi — CID 15849413

IUPACphenyl-[4-(2-trimethylsilylethynyl)phenyl]methanone
SMILESC[Si](C)(C)C#Cc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H18OSi/c1-20(2,3)14-13-15-9-11-17(12-10-15)18(19)16-7-5-4-6-8-16/h4-12H,1-3H3
InChIKeyLWQBXZUXYSGARG-UHFFFAOYSA-N
MW278.43 g/mol
LogP4.15
Rot. Bonds2

About phenyl-[4-(2-trimethylsilylethynyl)phenyl]methanone

phenyl-[4-(2-trimethylsilylethynyl)phenyl]methanone (PubChem CID 15849413) has the molecular formula C18H18OSi and a molecular weight of 278.43 g/mol. Its IUPAC name is phenyl-[4-(2-trimethylsilylethynyl)phenyl]methanone.

Molecular Properties

Compound Namephenyl-[4-(2-trimethylsilylethynyl)phenyl]methanone
PubChem CID15849413
Molecular FormulaC18H18OSi
Molecular Weight278.43 g/mol
Exact Mass278.11
IUPAC Namephenyl-[4-(2-trimethylsilylethynyl)phenyl]methanone
SMILESC[Si](C)(C)C#Cc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H18OSi/c1-20(2,3)14-13-15-9-11-17(12-10-15)18(19)16-7-5-4-6-8-16/h4-12H,1-3H3
InChIKeyLWQBXZUXYSGARG-UHFFFAOYSA-N
XLogP4.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.43
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

[4-[4-(4-benzoylphenyl)buta-1,3-diynyl]phenyl]-phenylmethanone
CID 19870024
N-methyl-4-(2-trimethylsilylethynyl)benzamide
CID 68847986
4-(4-trimethylsilylbuta-1,3-diynyl)benzoic acid
CID 141099093
phenyl-[3-(2-trimethylsilylethynyl)quinoxalin-2-yl]methanone
CID 154723609
2-[4-(2-trimethylsilylethynyl)phenyl]acetic acid
CID 19957500
[4-[3-(2-trimethylsilylethynyl)benzoyl]phenyl] trifluoromethanesulfonate
CID 10788559
phenyl-[4-(3,3,3-trifluoroprop-1-ynyl)phenyl]methanone
CID 56958797
phenyl-[2-(2-trimethylsilylethynyl)-3-pyridinyl]methanone
CID 101446196
diphenylmethanone;ethane
CID 158014879
diphenylmethanone
CID 3102
4-[4-[2-[4-(4-carboxybenzoyl)phenyl]ethynyl]benzoyl]benzoic acid
CID 139933830
4-(2-trimethylsilylethynyl)phenol
CID 10750210

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-(2-trimethylsilylethynyl)phenyl]methanone?
The IUPAC name of phenyl-[4-(2-trimethylsilylethynyl)phenyl]methanone (CID 15849413) is phenyl-[4-(2-trimethylsilylethynyl)phenyl]methanone.
What is the SMILES notation for phenyl-[4-(2-trimethylsilylethynyl)phenyl]methanone?
The canonical SMILES for phenyl-[4-(2-trimethylsilylethynyl)phenyl]methanone is C[Si](C)(C)C#Cc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of phenyl-[4-(2-trimethylsilylethynyl)phenyl]methanone?
The InChIKey is LWQBXZUXYSGARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18OSi/c1-20(2,3)14-13-15-9-11-17(12-10-15)18(19)16-7-5-4-6-8-16/h4-12H,1-3H3.
What are the key properties of phenyl-[4-(2-trimethylsilylethynyl)phenyl]methanone?
phenyl-[4-(2-trimethylsilylethynyl)phenyl]methanone has a molecular weight of 278.43 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-(2-trimethylsilylethynyl)phenyl]methanone is sourced from PubChem (CID 15849413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).