1-[4-[tert-butylsilyloxy(diphenyl)methyl]phenyl]ethanone

C25H28O2Si — CID 154436310

IUPAC1-[4-[tert-butylsilyloxy(diphenyl)methyl]phenyl]ethanone
SMILESCC(=O)c1ccc(C(O[SiH2]C(C)(C)C)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H28O2Si/c1-19(26)20-15-17-23(18-16-20)25(27-28-24(2,3)4,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-18H,28H2,1-4H3
InChIKeyICPYFWODBBBBBB-UHFFFAOYSA-N
MW388.58 g/mol
LogP5.50
Rot. Bonds6

About 1-[4-[tert-butylsilyloxy(diphenyl)methyl]phenyl]ethanone

1-[4-[tert-butylsilyloxy(diphenyl)methyl]phenyl]ethanone (PubChem CID 154436310) has the molecular formula C25H28O2Si and a molecular weight of 388.58 g/mol. Its IUPAC name is 1-[4-[tert-butylsilyloxy(diphenyl)methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[tert-butylsilyloxy(diphenyl)methyl]phenyl]ethanone
PubChem CID154436310
Molecular FormulaC25H28O2Si
Molecular Weight388.58 g/mol
Exact Mass388.19
IUPAC Name1-[4-[tert-butylsilyloxy(diphenyl)methyl]phenyl]ethanone
SMILESCC(=O)c1ccc(C(O[SiH2]C(C)(C)C)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H28O2Si/c1-19(26)20-15-17-23(18-16-20)25(27-28-24(2,3)4,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-18H,28H2,1-4H3
InChIKeyICPYFWODBBBBBB-UHFFFAOYSA-N
XLogP5.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.58
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[tert-butylsilyloxy(diphenyl)methyl]phenyl]ethanone?
The IUPAC name of 1-[4-[tert-butylsilyloxy(diphenyl)methyl]phenyl]ethanone (CID 154436310) is 1-[4-[tert-butylsilyloxy(diphenyl)methyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[tert-butylsilyloxy(diphenyl)methyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[tert-butylsilyloxy(diphenyl)methyl]phenyl]ethanone is CC(=O)c1ccc(C(O[SiH2]C(C)(C)C)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-[4-[tert-butylsilyloxy(diphenyl)methyl]phenyl]ethanone?
The InChIKey is ICPYFWODBBBBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O2Si/c1-19(26)20-15-17-23(18-16-20)25(27-28-24(2,3)4,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-18H,28H2,1-4H3.
What are the key properties of 1-[4-[tert-butylsilyloxy(diphenyl)methyl]phenyl]ethanone?
1-[4-[tert-butylsilyloxy(diphenyl)methyl]phenyl]ethanone has a molecular weight of 388.58 g/mol, XLogP of 5.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[tert-butylsilyloxy(diphenyl)methyl]phenyl]ethanone is sourced from PubChem (CID 154436310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).