2,6-ditert-butyl-4-[[methyl(diphenyl)silyl]methoxy]phenol

C28H36O2Si — CID 11475991

IUPAC2,6-ditert-butyl-4-[[methyl(diphenyl)silyl]methoxy]phenol
SMILESCC(C)(C)c1cc(OC[Si](C)(c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1O
InChIInChI=1S/C28H36O2Si/c1-27(2,3)24-18-21(19-25(26(24)29)28(4,5)6)30-20-31(7,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h8-19,29H,20H2,1-7H3
InChIKeyBDTJAVAZVIQOOT-UHFFFAOYSA-N
MW432.68 g/mol
LogP5.80
Rot. Bonds5

About 2,6-ditert-butyl-4-[[methyl(diphenyl)silyl]methoxy]phenol

2,6-ditert-butyl-4-[[methyl(diphenyl)silyl]methoxy]phenol (PubChem CID 11475991) has the molecular formula C28H36O2Si and a molecular weight of 432.68 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[[methyl(diphenyl)silyl]methoxy]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[[methyl(diphenyl)silyl]methoxy]phenol
PubChem CID11475991
Molecular FormulaC28H36O2Si
Molecular Weight432.68 g/mol
Exact Mass432.25
IUPAC Name2,6-ditert-butyl-4-[[methyl(diphenyl)silyl]methoxy]phenol
SMILESCC(C)(C)c1cc(OC[Si](C)(c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1O
InChIInChI=1S/C28H36O2Si/c1-27(2,3)24-18-21(19-25(26(24)29)28(4,5)6)30-20-31(7,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h8-19,29H,20H2,1-7H3
InChIKeyBDTJAVAZVIQOOT-UHFFFAOYSA-N
XLogP5.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.68
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,6-ditert-butyl-4-[[methyl(diphenyl)silyl]methoxy]phenol 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

2,6-ditert-butyl-4-ethoxyphenol;ethane
CID 143041042
2,6-ditert-butyl-4-(2-hydroxyethoxy)phenol
CID 22769816
2,6-ditert-butyl-4-[[[4-[2-(2-methoxyethoxy)ethyl]phenyl]-dimethylsilyl]methoxy]phenol
CID 91539613
N-[[4-[(3,5-ditert-butyl-4-hydroxyphenoxy)methyl-dimethylsilyl]phenyl]methyl]-N-methylmethanesulfonamide
CID 143041020
benzene;2,6-ditert-butyl-4-phenylphenol
CID 175516792
2,6-ditert-butyl-4-decoxyphenol
CID 18417198
2,6-ditert-butyl-4-methoxyphenol
CID 10269
2,6-ditert-butyl-4-(2,6-ditert-butylphenoxy)phenol
CID 22163155
4-(3,5-ditert-butyl-4-hydroxyphenoxy)butanenitrile
CID 15027734
4-(benzenesulfonyl)-2,6-ditert-butylphenol
CID 18352046
3-[(3,5-ditert-butyl-4-hydroxyphenoxy)methyl]benzonitrile
CID 15027732
phenyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 139663069

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[[methyl(diphenyl)silyl]methoxy]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[[methyl(diphenyl)silyl]methoxy]phenol (CID 11475991) is 2,6-ditert-butyl-4-[[methyl(diphenyl)silyl]methoxy]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[[methyl(diphenyl)silyl]methoxy]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[[methyl(diphenyl)silyl]methoxy]phenol is CC(C)(C)c1cc(OC[Si](C)(c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,6-ditert-butyl-4-[[methyl(diphenyl)silyl]methoxy]phenol?
The InChIKey is BDTJAVAZVIQOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36O2Si/c1-27(2,3)24-18-21(19-25(26(24)29)28(4,5)6)30-20-31(7,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h8-19,29H,20H2,1-7H3.
What are the key properties of 2,6-ditert-butyl-4-[[methyl(diphenyl)silyl]methoxy]phenol?
2,6-ditert-butyl-4-[[methyl(diphenyl)silyl]methoxy]phenol has a molecular weight of 432.68 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[[methyl(diphenyl)silyl]methoxy]phenol is sourced from PubChem (CID 11475991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).