1-(4-methoxyphenyl)-2-(5-trimethylsilyltetrazol-2-yl)ethanone

C13H18N4O2Si — CID 12824904

IUPAC1-(4-methoxyphenyl)-2-(5-trimethylsilyltetrazol-2-yl)ethanone
SMILESCOc1ccc(C(=O)Cn2nnc([Si](C)(C)C)n2)cc1
InChIInChI=1S/C13H18N4O2Si/c1-19-11-7-5-10(6-8-11)12(18)9-17-15-13(14-16-17)20(2,3)4/h5-8H,9H2,1-4H3
InChIKeyDMVOGQMONJYXCW-UHFFFAOYSA-N
MW290.40 g/mol
LogP1.11
Rot. Bonds5

About 1-(4-methoxyphenyl)-2-(5-trimethylsilyltetrazol-2-yl)ethanone

1-(4-methoxyphenyl)-2-(5-trimethylsilyltetrazol-2-yl)ethanone (PubChem CID 12824904) has the molecular formula C13H18N4O2Si and a molecular weight of 290.40 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(5-trimethylsilyltetrazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(5-trimethylsilyltetrazol-2-yl)ethanone
PubChem CID12824904
Molecular FormulaC13H18N4O2Si
Molecular Weight290.40 g/mol
Exact Mass290.12
IUPAC Name1-(4-methoxyphenyl)-2-(5-trimethylsilyltetrazol-2-yl)ethanone
SMILESCOc1ccc(C(=O)Cn2nnc([Si](C)(C)C)n2)cc1
InChIInChI=1S/C13H18N4O2Si/c1-19-11-7-5-10(6-8-11)12(18)9-17-15-13(14-16-17)20(2,3)4/h5-8H,9H2,1-4H3
InChIKeyDMVOGQMONJYXCW-UHFFFAOYSA-N
XLogP1.11
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]butanamide
CID 1463735
[2-(4-methoxyphenyl)-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate
CID 8677789
1-(4-chlorophenyl)-2-[4-(4-methoxyphenyl)triazol-1-yl]ethanone
CID 53321268
2-[5-(4-bromophenyl)tetrazol-1-yl]-1-(4-methoxyphenyl)ethanone
CID 9421908
3-[5-(4-methoxyphenyl)tetrazol-2-yl]propanoic acid
CID 860833
6-methoxy-2-[2-(4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
CID 105061881
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-methoxyphenyl)ethanone
CID 62129687
2-[5-[(4-methoxyphenyl)methyl]tetrazol-2-yl]acetic acid
CID 746025
1-(1H-indol-3-yl)-2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]ethanone
CID 1175397
2-(3-hydroxyazetidin-1-yl)-1-(4-methoxyphenyl)ethanone
CID 121200224
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 8825649
2-methoxy-1-[4-(4-methoxyphenyl)phenyl]ethanone
CID 82053413

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(5-trimethylsilyltetrazol-2-yl)ethanone?
The IUPAC name of 1-(4-methoxyphenyl)-2-(5-trimethylsilyltetrazol-2-yl)ethanone (CID 12824904) is 1-(4-methoxyphenyl)-2-(5-trimethylsilyltetrazol-2-yl)ethanone.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(5-trimethylsilyltetrazol-2-yl)ethanone?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(5-trimethylsilyltetrazol-2-yl)ethanone is COc1ccc(C(=O)Cn2nnc([Si](C)(C)C)n2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(5-trimethylsilyltetrazol-2-yl)ethanone?
The InChIKey is DMVOGQMONJYXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2Si/c1-19-11-7-5-10(6-8-11)12(18)9-17-15-13(14-16-17)20(2,3)4/h5-8H,9H2,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)-2-(5-trimethylsilyltetrazol-2-yl)ethanone?
1-(4-methoxyphenyl)-2-(5-trimethylsilyltetrazol-2-yl)ethanone has a molecular weight of 290.40 g/mol, XLogP of 1.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(5-trimethylsilyltetrazol-2-yl)ethanone is sourced from PubChem (CID 12824904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).