4-[dibutyl-(4-hydroxy-3-methylphenyl)silyl]-2-methylphenol

C22H32O2Si — CID 71712305

IUPAC4-[dibutyl-(4-hydroxy-3-methylphenyl)silyl]-2-methylphenol
SMILESCCCC[Si](CCCC)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1
InChIInChI=1S/C22H32O2Si/c1-5-7-13-25(14-8-6-2,19-9-11-21(23)17(3)15-19)20-10-12-22(24)18(4)16-20/h9-12,15-16,23-24H,5-8,13-14H2,1-4H3
InChIKeyOPTVZQBIXJWQAM-UHFFFAOYSA-N
MW356.58 g/mol
LogP4.88
Rot. Bonds8

About 4-[dibutyl-(4-hydroxy-3-methylphenyl)silyl]-2-methylphenol

4-[dibutyl-(4-hydroxy-3-methylphenyl)silyl]-2-methylphenol (PubChem CID 71712305) has the molecular formula C22H32O2Si and a molecular weight of 356.58 g/mol. Its IUPAC name is 4-[dibutyl-(4-hydroxy-3-methylphenyl)silyl]-2-methylphenol.

Molecular Properties

Compound Name4-[dibutyl-(4-hydroxy-3-methylphenyl)silyl]-2-methylphenol
PubChem CID71712305
Molecular FormulaC22H32O2Si
Molecular Weight356.58 g/mol
Exact Mass356.22
IUPAC Name4-[dibutyl-(4-hydroxy-3-methylphenyl)silyl]-2-methylphenol
SMILESCCCC[Si](CCCC)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1
InChIInChI=1S/C22H32O2Si/c1-5-7-13-25(14-8-6-2,19-9-11-21(23)17(3)15-19)20-10-12-22(24)18(4)16-20/h9-12,15-16,23-24H,5-8,13-14H2,1-4H3
InChIKeyOPTVZQBIXJWQAM-UHFFFAOYSA-N
XLogP4.88
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.58
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[dibutyl-(4-hydroxy-3-methylphenyl)silyl]-2-methylphenol 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 4-[dibutyl-(4-hydroxy-3-methylphenyl)silyl]-2-methylphenol?
The IUPAC name of 4-[dibutyl-(4-hydroxy-3-methylphenyl)silyl]-2-methylphenol (CID 71712305) is 4-[dibutyl-(4-hydroxy-3-methylphenyl)silyl]-2-methylphenol.
What is the SMILES notation for 4-[dibutyl-(4-hydroxy-3-methylphenyl)silyl]-2-methylphenol?
The canonical SMILES for 4-[dibutyl-(4-hydroxy-3-methylphenyl)silyl]-2-methylphenol is CCCC[Si](CCCC)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1.
What is the InChIKey of 4-[dibutyl-(4-hydroxy-3-methylphenyl)silyl]-2-methylphenol?
The InChIKey is OPTVZQBIXJWQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O2Si/c1-5-7-13-25(14-8-6-2,19-9-11-21(23)17(3)15-19)20-10-12-22(24)18(4)16-20/h9-12,15-16,23-24H,5-8,13-14H2,1-4H3.
What are the key properties of 4-[dibutyl-(4-hydroxy-3-methylphenyl)silyl]-2-methylphenol?
4-[dibutyl-(4-hydroxy-3-methylphenyl)silyl]-2-methylphenol has a molecular weight of 356.58 g/mol, XLogP of 4.88, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dibutyl-(4-hydroxy-3-methylphenyl)silyl]-2-methylphenol is sourced from PubChem (CID 71712305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).