4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethoxy)phenol

C14H21F3O3Si — CID 18700104

IUPAC4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethoxy)phenol
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(O)cc1OC(F)(F)F
InChIInChI=1S/C14H21F3O3Si/c1-13(2,3)21(4,5)19-9-10-6-7-11(18)8-12(10)20-14(15,16)17/h6-8,18H,9H2,1-5H3
InChIKeyJGELAMLPPFJVEG-UHFFFAOYSA-N
MW322.40 g/mol
LogP4.81
Rot. Bonds4

About 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethoxy)phenol

4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethoxy)phenol (PubChem CID 18700104) has the molecular formula C14H21F3O3Si and a molecular weight of 322.40 g/mol. Its IUPAC name is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethoxy)phenol.

Molecular Properties

Compound Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethoxy)phenol
PubChem CID18700104
Molecular FormulaC14H21F3O3Si
Molecular Weight322.40 g/mol
Exact Mass322.12
IUPAC Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethoxy)phenol
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(O)cc1OC(F)(F)F
InChIInChI=1S/C14H21F3O3Si/c1-13(2,3)21(4,5)19-9-10-6-7-11(18)8-12(10)20-14(15,16)17/h6-8,18H,9H2,1-5H3
InChIKeyJGELAMLPPFJVEG-UHFFFAOYSA-N
XLogP4.81
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-methoxy-4-(trifluoromethoxy)phenol
CID 142516973
4-[4-hydroxy-2-(trifluoromethoxy)phenyl]-3-(trifluoromethoxy)phenol
CID 139790493
3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenol
CID 14940556
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-iodoaniline
CID 125465241
tert-butyl-[(2,4-dichlorophenyl)methoxy]-dimethylsilane
CID 91737025
tert-butyl-[(2-fluoro-5-methoxyphenyl)methoxy]-dimethylsilane
CID 140698939
4-(2-amino-1-hydroxyethyl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenol
CID 66988165
(2-bromo-3,4-difluorophenyl)methoxy-tert-butyl-dimethylsilane
CID 138375836
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylaniline
CID 155655100
4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyphenyl]but-3-en-2-one
CID 68803997
2-[5-bromo-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol
CID 10641233
1-[4-hydroxy-2-(trifluoromethoxy)phenyl]ethanone
CID 167069993

Frequently Asked Questions

What is the IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethoxy)phenol?
The IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethoxy)phenol (CID 18700104) is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethoxy)phenol.
What is the SMILES notation for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethoxy)phenol?
The canonical SMILES for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethoxy)phenol is CC(C)(C)[Si](C)(C)OCc1ccc(O)cc1OC(F)(F)F.
What is the InChIKey of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethoxy)phenol?
The InChIKey is JGELAMLPPFJVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3O3Si/c1-13(2,3)21(4,5)19-9-10-6-7-11(18)8-12(10)20-14(15,16)17/h6-8,18H,9H2,1-5H3.
What are the key properties of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethoxy)phenol?
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethoxy)phenol has a molecular weight of 322.40 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethoxy)phenol is sourced from PubChem (CID 18700104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).