3-[tert-butyl(diphenyl)silyl]oxy-2-(4-fluorophenyl)propan-1-ol

C25H29FO2Si — CID 15392546

IUPAC3-[tert-butyl(diphenyl)silyl]oxy-2-(4-fluorophenyl)propan-1-ol
SMILESCC(C)(C)[Si](OCC(CO)c1ccc(F)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H29FO2Si/c1-25(2,3)29(23-10-6-4-7-11-23,24-12-8-5-9-13-24)28-19-21(18-27)20-14-16-22(26)17-15-20/h4-17,21,27H,18-19H2,1-3H3
InChIKeyHRZGDDMENFQCMX-UHFFFAOYSA-N
MW408.59 g/mol
LogP4.48
Rot. Bonds7

About 3-[tert-butyl(diphenyl)silyl]oxy-2-(4-fluorophenyl)propan-1-ol

3-[tert-butyl(diphenyl)silyl]oxy-2-(4-fluorophenyl)propan-1-ol (PubChem CID 15392546) has the molecular formula C25H29FO2Si and a molecular weight of 408.59 g/mol. Its IUPAC name is 3-[tert-butyl(diphenyl)silyl]oxy-2-(4-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-[tert-butyl(diphenyl)silyl]oxy-2-(4-fluorophenyl)propan-1-ol
PubChem CID15392546
Molecular FormulaC25H29FO2Si
Molecular Weight408.59 g/mol
Exact Mass408.19
IUPAC Name3-[tert-butyl(diphenyl)silyl]oxy-2-(4-fluorophenyl)propan-1-ol
SMILESCC(C)(C)[Si](OCC(CO)c1ccc(F)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H29FO2Si/c1-25(2,3)29(23-10-6-4-7-11-23,24-12-8-5-9-13-24)28-19-21(18-27)20-14-16-22(26)17-15-20/h4-17,21,27H,18-19H2,1-3H3
InChIKeyHRZGDDMENFQCMX-UHFFFAOYSA-N
XLogP4.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(diphenyl)silyl]oxy-2-(4-fluorophenyl)propan-1-ol?
The IUPAC name of 3-[tert-butyl(diphenyl)silyl]oxy-2-(4-fluorophenyl)propan-1-ol (CID 15392546) is 3-[tert-butyl(diphenyl)silyl]oxy-2-(4-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-[tert-butyl(diphenyl)silyl]oxy-2-(4-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-[tert-butyl(diphenyl)silyl]oxy-2-(4-fluorophenyl)propan-1-ol is CC(C)(C)[Si](OCC(CO)c1ccc(F)cc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[tert-butyl(diphenyl)silyl]oxy-2-(4-fluorophenyl)propan-1-ol?
The InChIKey is HRZGDDMENFQCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FO2Si/c1-25(2,3)29(23-10-6-4-7-11-23,24-12-8-5-9-13-24)28-19-21(18-27)20-14-16-22(26)17-15-20/h4-17,21,27H,18-19H2,1-3H3.
What are the key properties of 3-[tert-butyl(diphenyl)silyl]oxy-2-(4-fluorophenyl)propan-1-ol?
3-[tert-butyl(diphenyl)silyl]oxy-2-(4-fluorophenyl)propan-1-ol has a molecular weight of 408.59 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(diphenyl)silyl]oxy-2-(4-fluorophenyl)propan-1-ol is sourced from PubChem (CID 15392546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).