(3-phenylmethoxy-2-trimethylsilylphenyl) trifluoromethanesulfonate

C17H19F3O4SSi — CID 132503973

IUPAC(3-phenylmethoxy-2-trimethylsilylphenyl) trifluoromethanesulfonate
SMILESC[Si](C)(C)c1c(OCc2ccccc2)cccc1OS(=O)(=O)C(F)(F)F
InChIInChI=1S/C17H19F3O4SSi/c1-26(2,3)16-14(23-12-13-8-5-4-6-9-13)10-7-11-15(16)24-25(21,22)17(18,19)20/h4-11H,12H2,1-3H3
InChIKeyFKZTWNPGUVONPO-UHFFFAOYSA-N
MW404.48 g/mol
LogP4.04
Rot. Bonds6

About (3-phenylmethoxy-2-trimethylsilylphenyl) trifluoromethanesulfonate

(3-phenylmethoxy-2-trimethylsilylphenyl) trifluoromethanesulfonate (PubChem CID 132503973) has the molecular formula C17H19F3O4SSi and a molecular weight of 404.48 g/mol. Its IUPAC name is (3-phenylmethoxy-2-trimethylsilylphenyl) trifluoromethanesulfonate.

Molecular Properties

Compound Name(3-phenylmethoxy-2-trimethylsilylphenyl) trifluoromethanesulfonate
PubChem CID132503973
Molecular FormulaC17H19F3O4SSi
Molecular Weight404.48 g/mol
Exact Mass404.07
IUPAC Name(3-phenylmethoxy-2-trimethylsilylphenyl) trifluoromethanesulfonate
SMILESC[Si](C)(C)c1c(OCc2ccccc2)cccc1OS(=O)(=O)C(F)(F)F
InChIInChI=1S/C17H19F3O4SSi/c1-26(2,3)16-14(23-12-13-8-5-4-6-9-13)10-7-11-15(16)24-25(21,22)17(18,19)20/h4-11H,12H2,1-3H3
InChIKeyFKZTWNPGUVONPO-UHFFFAOYSA-N
XLogP4.04
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.48
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze (3-phenylmethoxy-2-trimethylsilylphenyl) trifluoromethanesulfonate 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-Methoxy-2-(trimethylsilyl)phenyl Trifluoromethanesulfonate
CID 11023933
1-Fluoro-4-[(3-methoxyphenoxy)methyl]benzene
CID 59165653
1-Fluoro-3-((3-methoxyphenoxy)methyl)benzene
CID 12180960
[(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl] methanesulfonate
CID 15078085
1-(Trifluoromethylsulfonyloxy)-2-(trimethylsilyl)-3,5-dimethoxybenzene
CID 101502085
(5-Methoxy-2-trimethylsilyl-phenyl) trifluoromethanesulfonate
CID 125494935
Trifluoromethanesulfonic acid 2-iodo-3-(benzyloxy)phenyl ester
CID 10983356
[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[(2R)-3-[(4-methoxyphenyl)methoxy]-2-methylpropyl]-3,6-dihydro-2H-pyran-5-yl] trifluoromethanesulfonate
CID 11227032
[2-[(Z)-6-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-4-enyl]-5-methoxyphenyl] trifluoromethanesulfonate
CID 11734717
[3-[Tert-butyl(dimethyl)silyl]oxy-2-iodo-5-phenylmethoxyphenyl] trifluoromethanesulfonate
CID 11858935
[2-[Tert-butyl(diphenyl)silyl]-3-methoxyphenyl] trifluoromethanesulfonate
CID 102347015
[2-Oxo-4-[tri(propan-2-yl)silyloxymethyl]chromen-7-yl] trifluoromethanesulfonate
CID 134853323

Frequently Asked Questions

What is the IUPAC name of (3-phenylmethoxy-2-trimethylsilylphenyl) trifluoromethanesulfonate?
The IUPAC name of (3-phenylmethoxy-2-trimethylsilylphenyl) trifluoromethanesulfonate (CID 132503973) is (3-phenylmethoxy-2-trimethylsilylphenyl) trifluoromethanesulfonate.
What is the SMILES notation for (3-phenylmethoxy-2-trimethylsilylphenyl) trifluoromethanesulfonate?
The canonical SMILES for (3-phenylmethoxy-2-trimethylsilylphenyl) trifluoromethanesulfonate is C[Si](C)(C)c1c(OCc2ccccc2)cccc1OS(=O)(=O)C(F)(F)F.
What is the InChIKey of (3-phenylmethoxy-2-trimethylsilylphenyl) trifluoromethanesulfonate?
The InChIKey is FKZTWNPGUVONPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3O4SSi/c1-26(2,3)16-14(23-12-13-8-5-4-6-9-13)10-7-11-15(16)24-25(21,22)17(18,19)20/h4-11H,12H2,1-3H3.
What are the key properties of (3-phenylmethoxy-2-trimethylsilylphenyl) trifluoromethanesulfonate?
(3-phenylmethoxy-2-trimethylsilylphenyl) trifluoromethanesulfonate has a molecular weight of 404.48 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylmethoxy-2-trimethylsilylphenyl) trifluoromethanesulfonate is sourced from PubChem (CID 132503973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).