4-[2-[4-[methyl(phenyl)silyl]peroxyphenyl]propan-2-yl]phenol

C22H24O3Si — CID 173427825

IUPAC4-[2-[4-[methyl(phenyl)silyl]peroxyphenyl]propan-2-yl]phenol
SMILESC[SiH](OOc1ccc(C(C)(C)c2ccc(O)cc2)cc1)c1ccccc1
InChIInChI=1S/C22H24O3Si/c1-22(2,17-9-13-19(23)14-10-17)18-11-15-20(16-12-18)24-25-26(3)21-7-5-4-6-8-21/h4-16,23,26H,1-3H3
InChIKeyKCNCJXUVZSWVSJ-UHFFFAOYSA-N
MW364.52 g/mol
LogP4.29
Rot. Bonds6

About 4-[2-[4-[methyl(phenyl)silyl]peroxyphenyl]propan-2-yl]phenol

4-[2-[4-[methyl(phenyl)silyl]peroxyphenyl]propan-2-yl]phenol (PubChem CID 173427825) has the molecular formula C22H24O3Si and a molecular weight of 364.52 g/mol. Its IUPAC name is 4-[2-[4-[methyl(phenyl)silyl]peroxyphenyl]propan-2-yl]phenol.

Molecular Properties

Compound Name4-[2-[4-[methyl(phenyl)silyl]peroxyphenyl]propan-2-yl]phenol
PubChem CID173427825
Molecular FormulaC22H24O3Si
Molecular Weight364.52 g/mol
Exact Mass364.15
IUPAC Name4-[2-[4-[methyl(phenyl)silyl]peroxyphenyl]propan-2-yl]phenol
SMILESC[SiH](OOc1ccc(C(C)(C)c2ccc(O)cc2)cc1)c1ccccc1
InChIInChI=1S/C22H24O3Si/c1-22(2,17-9-13-19(23)14-10-17)18-11-15-20(16-12-18)24-25-26(3)21-7-5-4-6-8-21/h4-16,23,26H,1-3H3
InChIKeyKCNCJXUVZSWVSJ-UHFFFAOYSA-N
XLogP4.29
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[methyl(phenyl)silyl]peroxyphenyl]propan-2-yl]phenol?
The IUPAC name of 4-[2-[4-[methyl(phenyl)silyl]peroxyphenyl]propan-2-yl]phenol (CID 173427825) is 4-[2-[4-[methyl(phenyl)silyl]peroxyphenyl]propan-2-yl]phenol.
What is the SMILES notation for 4-[2-[4-[methyl(phenyl)silyl]peroxyphenyl]propan-2-yl]phenol?
The canonical SMILES for 4-[2-[4-[methyl(phenyl)silyl]peroxyphenyl]propan-2-yl]phenol is C[SiH](OOc1ccc(C(C)(C)c2ccc(O)cc2)cc1)c1ccccc1.
What is the InChIKey of 4-[2-[4-[methyl(phenyl)silyl]peroxyphenyl]propan-2-yl]phenol?
The InChIKey is KCNCJXUVZSWVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O3Si/c1-22(2,17-9-13-19(23)14-10-17)18-11-15-20(16-12-18)24-25-26(3)21-7-5-4-6-8-21/h4-16,23,26H,1-3H3.
What are the key properties of 4-[2-[4-[methyl(phenyl)silyl]peroxyphenyl]propan-2-yl]phenol?
4-[2-[4-[methyl(phenyl)silyl]peroxyphenyl]propan-2-yl]phenol has a molecular weight of 364.52 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[methyl(phenyl)silyl]peroxyphenyl]propan-2-yl]phenol is sourced from PubChem (CID 173427825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).