4-[(4-hydroxy-3-methylphenyl)-dipropylsilyl]-2-methylphenol

C20H28O2Si — CID 90654352

IUPAC4-[(4-hydroxy-3-methylphenyl)-dipropylsilyl]-2-methylphenol
SMILESCCC[Si](CCC)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1
InChIInChI=1S/C20H28O2Si/c1-5-11-23(12-6-2,17-7-9-19(21)15(3)13-17)18-8-10-20(22)16(4)14-18/h7-10,13-14,21-22H,5-6,11-12H2,1-4H3
InChIKeyWIRHVWGXFGRIGT-UHFFFAOYSA-N
MW328.53 g/mol
LogP4.10
Rot. Bonds6

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

4-[(4-hydroxy-3-methylphenyl)-dipropylsilyl]-2-methylphenol (PubChem CID 90654352) has the molecular formula C20H28O2Si and a molecular weight of 328.53 g/mol. Its IUPAC name is 4-[(4-hydroxy-3-methylphenyl)-dipropylsilyl]-2-methylphenol.

Molecular Properties

Compound Name4-[(4-hydroxy-3-methylphenyl)-dipropylsilyl]-2-methylphenol
PubChem CID90654352
Molecular FormulaC20H28O2Si
Molecular Weight328.53 g/mol
Exact Mass328.19
IUPAC Name4-[(4-hydroxy-3-methylphenyl)-dipropylsilyl]-2-methylphenol
SMILESCCC[Si](CCC)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1
InChIInChI=1S/C20H28O2Si/c1-5-11-23(12-6-2,17-7-9-19(21)15(3)13-17)18-8-10-20(22)16(4)14-18/h7-10,13-14,21-22H,5-6,11-12H2,1-4H3
InChIKeyWIRHVWGXFGRIGT-UHFFFAOYSA-N
XLogP4.10
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.53
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 4-[(4-hydroxy-3-methylphenyl)-dipropylsilyl]-2-methylphenol?
The IUPAC name of 4-[(4-hydroxy-3-methylphenyl)-dipropylsilyl]-2-methylphenol (CID 90654352) is 4-[(4-hydroxy-3-methylphenyl)-dipropylsilyl]-2-methylphenol.
What is the SMILES notation for 4-[(4-hydroxy-3-methylphenyl)-dipropylsilyl]-2-methylphenol?
The canonical SMILES for 4-[(4-hydroxy-3-methylphenyl)-dipropylsilyl]-2-methylphenol is CCC[Si](CCC)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1.
What is the InChIKey of 4-[(4-hydroxy-3-methylphenyl)-dipropylsilyl]-2-methylphenol?
The InChIKey is WIRHVWGXFGRIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O2Si/c1-5-11-23(12-6-2,17-7-9-19(21)15(3)13-17)18-8-10-20(22)16(4)14-18/h7-10,13-14,21-22H,5-6,11-12H2,1-4H3.
What are the key properties of 4-[(4-hydroxy-3-methylphenyl)-dipropylsilyl]-2-methylphenol?
4-[(4-hydroxy-3-methylphenyl)-dipropylsilyl]-2-methylphenol has a molecular weight of 328.53 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-3-methylphenyl)-dipropylsilyl]-2-methylphenol is sourced from PubChem (CID 90654352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).