tert-butyl-[(7-methoxy-2-phenyl-1-benzofuran-5-yl)methoxy]-dimethylsilane

C22H28O3Si — CID 6613423

IUPACtert-butyl-[(7-methoxy-2-phenyl-1-benzofuran-5-yl)methoxy]-dimethylsilane
SMILESCOc1cc(CO[Si](C)(C)C(C)(C)C)cc2cc(-c3ccccc3)oc12
InChIInChI=1S/C22H28O3Si/c1-22(2,3)26(5,6)24-15-16-12-18-14-19(17-10-8-7-9-11-17)25-21(18)20(13-16)23-4/h7-14H,15H2,1-6H3
InChIKeyFTCGZMXCIWOYCQ-UHFFFAOYSA-N
MW368.55 g/mol
LogP6.63
Rot. Bonds5

About tert-butyl-[(7-methoxy-2-phenyl-1-benzofuran-5-yl)methoxy]-dimethylsilane

tert-butyl-[(7-methoxy-2-phenyl-1-benzofuran-5-yl)methoxy]-dimethylsilane (PubChem CID 6613423) has the molecular formula C22H28O3Si and a molecular weight of 368.55 g/mol. Its IUPAC name is tert-butyl-[(7-methoxy-2-phenyl-1-benzofuran-5-yl)methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(7-methoxy-2-phenyl-1-benzofuran-5-yl)methoxy]-dimethylsilane
PubChem CID6613423
Molecular FormulaC22H28O3Si
Molecular Weight368.55 g/mol
Exact Mass368.18
IUPAC Nametert-butyl-[(7-methoxy-2-phenyl-1-benzofuran-5-yl)methoxy]-dimethylsilane
SMILESCOc1cc(CO[Si](C)(C)C(C)(C)C)cc2cc(-c3ccccc3)oc12
InChIInChI=1S/C22H28O3Si/c1-22(2,3)26(5,6)24-15-16-12-18-14-19(17-10-8-7-9-11-17)25-21(18)20(13-16)23-4/h7-14H,15H2,1-6H3
InChIKeyFTCGZMXCIWOYCQ-UHFFFAOYSA-N
XLogP6.63
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.55
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(3-methoxy-4-propan-2-ylphenyl)methoxy]-dimethylsilane
CID 174039904
3-[7-methoxy-2-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-yl]propan-1-ol
CID 122686391
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxybenzaldehyde
CID 19348493
tert-butyl-dimethyl-[(E)-8-(2-phenyl-1-benzofuran-6-yl)oct-4-enoxy]silane
CID 154601605
tert-butyl-(deuteriomethyl)-methyl-phenylmethoxysilane
CID 11075026
1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-dimethoxyphenyl]pentan-1-one
CID 46938474
triphenyl-[(3,4,5-trimethoxyphenyl)methoxy]silane
CID 71329016
[4-[7-bromo-5-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-2-yl]phenoxy]-tert-butyl-dimethylsilane
CID 22221616
(4-bromophenyl)methoxy-tert-butyl-dimethylsilane
CID 10859583
5-[[tert-butyl(dimethyl)silyl]oxymethyl]benzene-1,3-diamine
CID 71429023
tert-butyl-dimethyl-[(3-methylphenyl)methoxy]silane
CID 22967275
3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenol
CID 14940556

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(7-methoxy-2-phenyl-1-benzofuran-5-yl)methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(7-methoxy-2-phenyl-1-benzofuran-5-yl)methoxy]-dimethylsilane (CID 6613423) is tert-butyl-[(7-methoxy-2-phenyl-1-benzofuran-5-yl)methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(7-methoxy-2-phenyl-1-benzofuran-5-yl)methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(7-methoxy-2-phenyl-1-benzofuran-5-yl)methoxy]-dimethylsilane is COc1cc(CO[Si](C)(C)C(C)(C)C)cc2cc(-c3ccccc3)oc12.
What is the InChIKey of tert-butyl-[(7-methoxy-2-phenyl-1-benzofuran-5-yl)methoxy]-dimethylsilane?
The InChIKey is FTCGZMXCIWOYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O3Si/c1-22(2,3)26(5,6)24-15-16-12-18-14-19(17-10-8-7-9-11-17)25-21(18)20(13-16)23-4/h7-14H,15H2,1-6H3.
What are the key properties of tert-butyl-[(7-methoxy-2-phenyl-1-benzofuran-5-yl)methoxy]-dimethylsilane?
tert-butyl-[(7-methoxy-2-phenyl-1-benzofuran-5-yl)methoxy]-dimethylsilane has a molecular weight of 368.55 g/mol, XLogP of 6.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(7-methoxy-2-phenyl-1-benzofuran-5-yl)methoxy]-dimethylsilane is sourced from PubChem (CID 6613423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).