4-[2-(tert-butyl-hydroxy-phenylsilyl)oxypropyl]phenol

C19H26O3Si — CID 71501863

IUPAC4-[2-(tert-butyl-hydroxy-phenylsilyl)oxypropyl]phenol
SMILESCC(Cc1ccc(O)cc1)O[Si](O)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C19H26O3Si/c1-15(14-16-10-12-17(20)13-11-16)22-23(21,19(2,3)4)18-8-6-5-7-9-18/h5-13,15,20-21H,14H2,1-4H3
InChIKeyQKHIXEGMRVBIRK-UHFFFAOYSA-N
MW330.50 g/mol
LogP3.48
Rot. Bonds5

About 4-[2-(tert-butyl-hydroxy-phenylsilyl)oxypropyl]phenol

4-[2-(tert-butyl-hydroxy-phenylsilyl)oxypropyl]phenol (PubChem CID 71501863) has the molecular formula C19H26O3Si and a molecular weight of 330.50 g/mol. Its IUPAC name is 4-[2-(tert-butyl-hydroxy-phenylsilyl)oxypropyl]phenol.

Molecular Properties

Compound Name4-[2-(tert-butyl-hydroxy-phenylsilyl)oxypropyl]phenol
PubChem CID71501863
Molecular FormulaC19H26O3Si
Molecular Weight330.50 g/mol
Exact Mass330.17
IUPAC Name4-[2-(tert-butyl-hydroxy-phenylsilyl)oxypropyl]phenol
SMILESCC(Cc1ccc(O)cc1)O[Si](O)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C19H26O3Si/c1-15(14-16-10-12-17(20)13-11-16)22-23(21,19(2,3)4)18-8-6-5-7-9-18/h5-13,15,20-21H,14H2,1-4H3
InChIKeyQKHIXEGMRVBIRK-UHFFFAOYSA-N
XLogP3.48
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[2-(tert-butyl-hydroxy-phenylsilyl)oxypropyl]phenol?
The IUPAC name of 4-[2-(tert-butyl-hydroxy-phenylsilyl)oxypropyl]phenol (CID 71501863) is 4-[2-(tert-butyl-hydroxy-phenylsilyl)oxypropyl]phenol.
What is the SMILES notation for 4-[2-(tert-butyl-hydroxy-phenylsilyl)oxypropyl]phenol?
The canonical SMILES for 4-[2-(tert-butyl-hydroxy-phenylsilyl)oxypropyl]phenol is CC(Cc1ccc(O)cc1)O[Si](O)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 4-[2-(tert-butyl-hydroxy-phenylsilyl)oxypropyl]phenol?
The InChIKey is QKHIXEGMRVBIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O3Si/c1-15(14-16-10-12-17(20)13-11-16)22-23(21,19(2,3)4)18-8-6-5-7-9-18/h5-13,15,20-21H,14H2,1-4H3.
What are the key properties of 4-[2-(tert-butyl-hydroxy-phenylsilyl)oxypropyl]phenol?
4-[2-(tert-butyl-hydroxy-phenylsilyl)oxypropyl]phenol has a molecular weight of 330.50 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(tert-butyl-hydroxy-phenylsilyl)oxypropyl]phenol is sourced from PubChem (CID 71501863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).