[2-[tert-butyl(diphenyl)silyl]-3-methoxyphenyl] trifluoromethanesulfonate

C24H25F3O4SSi — CID 102347015

IUPAC[2-[tert-butyl(diphenyl)silyl]-3-methoxyphenyl] trifluoromethanesulfonate
SMILESCOc1cccc(OS(=O)(=O)C(F)(F)F)c1[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H25F3O4SSi/c1-23(2,3)33(18-12-7-5-8-13-18,19-14-9-6-10-15-19)22-20(30-4)16-11-17-21(22)31-32(28,29)24(25,26)27/h5-17H,1-4H3
InChIKeyFOWUHAIJQAXCIJ-UHFFFAOYSA-N
MW494.61 g/mol
LogP4.19
Rot. Bonds6

About [2-[tert-butyl(diphenyl)silyl]-3-methoxyphenyl] trifluoromethanesulfonate

[2-[tert-butyl(diphenyl)silyl]-3-methoxyphenyl] trifluoromethanesulfonate (PubChem CID 102347015) has the molecular formula C24H25F3O4SSi and a molecular weight of 494.61 g/mol. Its IUPAC name is [2-[tert-butyl(diphenyl)silyl]-3-methoxyphenyl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[2-[tert-butyl(diphenyl)silyl]-3-methoxyphenyl] trifluoromethanesulfonate
PubChem CID102347015
Molecular FormulaC24H25F3O4SSi
Molecular Weight494.61 g/mol
Exact Mass494.12
IUPAC Name[2-[tert-butyl(diphenyl)silyl]-3-methoxyphenyl] trifluoromethanesulfonate
SMILESCOc1cccc(OS(=O)(=O)C(F)(F)F)c1[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H25F3O4SSi/c1-23(2,3)33(18-12-7-5-8-13-18,19-14-9-6-10-15-19)22-20(30-4)16-11-17-21(22)31-32(28,29)24(25,26)27/h5-17H,1-4H3
InChIKeyFOWUHAIJQAXCIJ-UHFFFAOYSA-N
XLogP4.19
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.61
LogP ≤ 54.19
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze [2-[tert-butyl(diphenyl)silyl]-3-methoxyphenyl] 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

3,5-Dimethoxyphenyl trifluoromethanesulfonate
CID 5044558
3-Methoxy-2-(trimethylsilyl)phenyl Trifluoromethanesulfonate
CID 11023933
3-Methoxyphenyl trifluoromethanesulfonate
CID 565633
4-Biphenylyl(2,4,6-trimethoxyphenyl)iodonium Trifluoromethanesulfonate
CID 132274944
1-(Trifluoromethylsulfonyloxy)-2-(trimethylsilyl)-3,5-dimethoxybenzene
CID 101502085
(5-Methoxy-2-trimethylsilyl-phenyl) trifluoromethanesulfonate
CID 125494935
[2-[(Z)-6-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-4-enyl]-5-methoxyphenyl] trifluoromethanesulfonate
CID 11734717
[Phenyl-(2,4,6-trimethoxyphenyl)-lambda3-iodanyl] trifluoromethanesulfonate
CID 15366976
[2-[(3-Methoxyphenyl)-di(propan-2-yl)silyl]phenyl] trifluoromethanesulfonate
CID 25172703
[2-[Tert-butyl(dimethyl)silyl]-3,5-bis(methoxymethoxy)phenyl] trifluoromethanesulfonate
CID 46837542
(3-Phenylmethoxy-2-trimethylsilylphenyl) trifluoromethanesulfonate
CID 132503973
[3-[Tert-butyl(diphenyl)silyl]oxyphenyl] trifluoromethanesulfonate
CID 135010975

Frequently Asked Questions

What is the IUPAC name of [2-[tert-butyl(diphenyl)silyl]-3-methoxyphenyl] trifluoromethanesulfonate?
The IUPAC name of [2-[tert-butyl(diphenyl)silyl]-3-methoxyphenyl] trifluoromethanesulfonate (CID 102347015) is [2-[tert-butyl(diphenyl)silyl]-3-methoxyphenyl] trifluoromethanesulfonate.
What is the SMILES notation for [2-[tert-butyl(diphenyl)silyl]-3-methoxyphenyl] trifluoromethanesulfonate?
The canonical SMILES for [2-[tert-butyl(diphenyl)silyl]-3-methoxyphenyl] trifluoromethanesulfonate is COc1cccc(OS(=O)(=O)C(F)(F)F)c1[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of [2-[tert-butyl(diphenyl)silyl]-3-methoxyphenyl] trifluoromethanesulfonate?
The InChIKey is FOWUHAIJQAXCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3O4SSi/c1-23(2,3)33(18-12-7-5-8-13-18,19-14-9-6-10-15-19)22-20(30-4)16-11-17-21(22)31-32(28,29)24(25,26)27/h5-17H,1-4H3.
What are the key properties of [2-[tert-butyl(diphenyl)silyl]-3-methoxyphenyl] trifluoromethanesulfonate?
[2-[tert-butyl(diphenyl)silyl]-3-methoxyphenyl] trifluoromethanesulfonate has a molecular weight of 494.61 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[tert-butyl(diphenyl)silyl]-3-methoxyphenyl] trifluoromethanesulfonate is sourced from PubChem (CID 102347015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).