(3-benzhydryl-2-methoxyphenoxy)-tert-butyl-diphenylsilane

C36H36O2Si — CID 173074395

IUPAC(3-benzhydryl-2-methoxyphenoxy)-tert-butyl-diphenylsilane
SMILESCOc1c(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cccc1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H36O2Si/c1-36(2,3)39(30-22-13-7-14-23-30,31-24-15-8-16-25-31)38-33-27-17-26-32(35(33)37-4)34(28-18-9-5-10-19-28)29-20-11-6-12-21-29/h5-27,34H,1-4H3
InChIKeyJIONLXCHLZYOPQ-UHFFFAOYSA-N
MW528.77 g/mol
LogP7.81
Rot. Bonds8

About (3-benzhydryl-2-methoxyphenoxy)-tert-butyl-diphenylsilane

(3-benzhydryl-2-methoxyphenoxy)-tert-butyl-diphenylsilane (PubChem CID 173074395) has the molecular formula C36H36O2Si and a molecular weight of 528.77 g/mol. Its IUPAC name is (3-benzhydryl-2-methoxyphenoxy)-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name(3-benzhydryl-2-methoxyphenoxy)-tert-butyl-diphenylsilane
PubChem CID173074395
Molecular FormulaC36H36O2Si
Molecular Weight528.77 g/mol
Exact Mass528.25
IUPAC Name(3-benzhydryl-2-methoxyphenoxy)-tert-butyl-diphenylsilane
SMILESCOc1c(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cccc1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H36O2Si/c1-36(2,3)39(30-22-13-7-14-23-30,31-24-15-8-16-25-31)38-33-27-17-26-32(35(33)37-4)34(28-18-9-5-10-19-28)29-20-11-6-12-21-29/h5-27,34H,1-4H3
InChIKeyJIONLXCHLZYOPQ-UHFFFAOYSA-N
XLogP7.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.77
LogP ≤ 57.81
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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Related Compounds

methyl 5-[tert-butyl(diphenyl)silyl]oxy-3-methoxynaphthalene-2-carboxylate
CID 140692804
tert-butyl-[(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-1,2-diphenylethoxy]-diphenylsilane
CID 11028852
1-benzhydryl-5-tert-butyl-2-methoxy-3-methylbenzene;ethane
CID 145349337
methyl 5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxynaphthalene-2-carboxylate
CID 123544517
1-[(4-methoxyphenyl)-phenylmethyl]naphthalene
CID 19697043
tert-butyl-(2-nitrophenoxy)-diphenylsilane
CID 91423635
(1R)-1-[5-[tert-butyl(diphenyl)silyl]oxy-2,3-dimethoxy-4-methylphenyl]-2-phenylmethoxyethanol
CID 58025120
[2-[[tert-butyl(diphenyl)silyl]oxymethyl]phenyl]-phenylmethanol
CID 102217007
4-[tert-butyl(diphenyl)silyl]oxy-3-methoxybenzaldehyde
CID 11395179
tert-butyl-[2-(cyclopropylidenemethyl)phenoxy]-diphenylsilane
CID 101450805
tert-butyl-[[3-[tert-butyl(diphenyl)silyl]oxy-3H-inden-4-yl]oxy]-diphenylsilane
CID 69332486
[5-[(E)-2-(3-bromo-4,5-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]-tert-butyl-diphenylsilane
CID 11635755

Frequently Asked Questions

What is the IUPAC name of (3-benzhydryl-2-methoxyphenoxy)-tert-butyl-diphenylsilane?
The IUPAC name of (3-benzhydryl-2-methoxyphenoxy)-tert-butyl-diphenylsilane (CID 173074395) is (3-benzhydryl-2-methoxyphenoxy)-tert-butyl-diphenylsilane.
What is the SMILES notation for (3-benzhydryl-2-methoxyphenoxy)-tert-butyl-diphenylsilane?
The canonical SMILES for (3-benzhydryl-2-methoxyphenoxy)-tert-butyl-diphenylsilane is COc1c(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cccc1C(c1ccccc1)c1ccccc1.
What is the InChIKey of (3-benzhydryl-2-methoxyphenoxy)-tert-butyl-diphenylsilane?
The InChIKey is JIONLXCHLZYOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36O2Si/c1-36(2,3)39(30-22-13-7-14-23-30,31-24-15-8-16-25-31)38-33-27-17-26-32(35(33)37-4)34(28-18-9-5-10-19-28)29-20-11-6-12-21-29/h5-27,34H,1-4H3.
What are the key properties of (3-benzhydryl-2-methoxyphenoxy)-tert-butyl-diphenylsilane?
(3-benzhydryl-2-methoxyphenoxy)-tert-butyl-diphenylsilane has a molecular weight of 528.77 g/mol, XLogP of 7.81, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzhydryl-2-methoxyphenoxy)-tert-butyl-diphenylsilane is sourced from PubChem (CID 173074395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).