[2-[tert-butyl(dimethyl)silyl]oxy-5-(2,6-dimethylphenyl)phenyl]methanol

C21H30O2Si — CID 67250414

IUPAC[2-[tert-butyl(dimethyl)silyl]oxy-5-(2,6-dimethylphenyl)phenyl]methanol
SMILESCc1cccc(C)c1-c1ccc(O[Si](C)(C)C(C)(C)C)c(CO)c1
InChIInChI=1S/C21H30O2Si/c1-15-9-8-10-16(2)20(15)17-11-12-19(18(13-17)14-22)23-24(6,7)21(3,4)5/h8-13,22H,14H2,1-7H3
InChIKeyKGFNZSVGQPQDMP-UHFFFAOYSA-N
MW342.56 g/mol
LogP5.85
Rot. Bonds4

About [2-[tert-butyl(dimethyl)silyl]oxy-5-(2,6-dimethylphenyl)phenyl]methanol

[2-[tert-butyl(dimethyl)silyl]oxy-5-(2,6-dimethylphenyl)phenyl]methanol (PubChem CID 67250414) has the molecular formula C21H30O2Si and a molecular weight of 342.56 g/mol. Its IUPAC name is [2-[tert-butyl(dimethyl)silyl]oxy-5-(2,6-dimethylphenyl)phenyl]methanol.

Molecular Properties

Compound Name[2-[tert-butyl(dimethyl)silyl]oxy-5-(2,6-dimethylphenyl)phenyl]methanol
PubChem CID67250414
Molecular FormulaC21H30O2Si
Molecular Weight342.56 g/mol
Exact Mass342.20
IUPAC Name[2-[tert-butyl(dimethyl)silyl]oxy-5-(2,6-dimethylphenyl)phenyl]methanol
SMILESCc1cccc(C)c1-c1ccc(O[Si](C)(C)C(C)(C)C)c(CO)c1
InChIInChI=1S/C21H30O2Si/c1-15-9-8-10-16(2)20(15)17-11-12-19(18(13-17)14-22)23-24(6,7)21(3,4)5/h8-13,22H,14H2,1-7H3
InChIKeyKGFNZSVGQPQDMP-UHFFFAOYSA-N
XLogP5.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.56
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [2-[tert-butyl(dimethyl)silyl]oxy-5-(2,6-dimethylphenyl)phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[tert-butyl(dimethyl)silyl]oxy-5-(2,6-dimethylphenyl)phenyl]methanol?
The IUPAC name of [2-[tert-butyl(dimethyl)silyl]oxy-5-(2,6-dimethylphenyl)phenyl]methanol (CID 67250414) is [2-[tert-butyl(dimethyl)silyl]oxy-5-(2,6-dimethylphenyl)phenyl]methanol.
What is the SMILES notation for [2-[tert-butyl(dimethyl)silyl]oxy-5-(2,6-dimethylphenyl)phenyl]methanol?
The canonical SMILES for [2-[tert-butyl(dimethyl)silyl]oxy-5-(2,6-dimethylphenyl)phenyl]methanol is Cc1cccc(C)c1-c1ccc(O[Si](C)(C)C(C)(C)C)c(CO)c1.
What is the InChIKey of [2-[tert-butyl(dimethyl)silyl]oxy-5-(2,6-dimethylphenyl)phenyl]methanol?
The InChIKey is KGFNZSVGQPQDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30O2Si/c1-15-9-8-10-16(2)20(15)17-11-12-19(18(13-17)14-22)23-24(6,7)21(3,4)5/h8-13,22H,14H2,1-7H3.
What are the key properties of [2-[tert-butyl(dimethyl)silyl]oxy-5-(2,6-dimethylphenyl)phenyl]methanol?
[2-[tert-butyl(dimethyl)silyl]oxy-5-(2,6-dimethylphenyl)phenyl]methanol has a molecular weight of 342.56 g/mol, XLogP of 5.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[tert-butyl(dimethyl)silyl]oxy-5-(2,6-dimethylphenyl)phenyl]methanol is sourced from PubChem (CID 67250414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).