3-[tert-butyl(dimethyl)silyl]oxy-1-[4-[difluoro-[4-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-ol

C23H29F5O3Si — CID 67058143

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-1-[4-[difluoro-[4-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-ol
SMILESCC(C)(C)[Si](C)(C)OCCC(O)c1ccc(OC(F)(F)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C23H29F5O3Si/c1-21(2,3)32(4,5)30-15-14-20(29)16-6-12-19(13-7-16)31-23(27,28)18-10-8-17(9-11-18)22(24,25)26/h6-13,20,29H,14-15H2,1-5H3
InChIKeyIOSNBCSBEWNGAX-UHFFFAOYSA-N
MW476.56 g/mol
LogP7.28
Rot. Bonds8

About 3-[tert-butyl(dimethyl)silyl]oxy-1-[4-[difluoro-[4-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-ol

3-[tert-butyl(dimethyl)silyl]oxy-1-[4-[difluoro-[4-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-ol (PubChem CID 67058143) has the molecular formula C23H29F5O3Si and a molecular weight of 476.56 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-1-[4-[difluoro-[4-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-1-[4-[difluoro-[4-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-ol
PubChem CID67058143
Molecular FormulaC23H29F5O3Si
Molecular Weight476.56 g/mol
Exact Mass476.18
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-1-[4-[difluoro-[4-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-ol
SMILESCC(C)(C)[Si](C)(C)OCCC(O)c1ccc(OC(F)(F)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C23H29F5O3Si/c1-21(2,3)32(4,5)30-15-14-20(29)16-6-12-19(13-7-16)31-23(27,28)18-10-8-17(9-11-18)22(24,25)26/h6-13,20,29H,14-15H2,1-5H3
InChIKeyIOSNBCSBEWNGAX-UHFFFAOYSA-N
XLogP7.28
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.56
LogP ≤ 57.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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(dimethyl)silyl]oxy-1-[4-[difluoro-[4-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-ol?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-1-[4-[difluoro-[4-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-ol (CID 67058143) is 3-[tert-butyl(dimethyl)silyl]oxy-1-[4-[difluoro-[4-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-ol.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-1-[4-[difluoro-[4-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-ol?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-1-[4-[difluoro-[4-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-ol is CC(C)(C)[Si](C)(C)OCCC(O)c1ccc(OC(F)(F)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-1-[4-[difluoro-[4-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-ol?
The InChIKey is IOSNBCSBEWNGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F5O3Si/c1-21(2,3)32(4,5)30-15-14-20(29)16-6-12-19(13-7-16)31-23(27,28)18-10-8-17(9-11-18)22(24,25)26/h6-13,20,29H,14-15H2,1-5H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-1-[4-[difluoro-[4-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-ol?
3-[tert-butyl(dimethyl)silyl]oxy-1-[4-[difluoro-[4-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-ol has a molecular weight of 476.56 g/mol, XLogP of 7.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-1-[4-[difluoro-[4-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-ol is sourced from PubChem (CID 67058143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).