benzyl-[(2,3-dichlorophenyl)methoxy]-dimethylsilane

C16H18Cl2OSi — CID 91737119

IUPACbenzyl-[(2,3-dichlorophenyl)methoxy]-dimethylsilane
SMILESC[Si](C)(Cc1ccccc1)OCc1cccc(Cl)c1Cl
InChIInChI=1S/C16H18Cl2OSi/c1-20(2,12-13-7-4-3-5-8-13)19-11-14-9-6-10-15(17)16(14)18/h3-10H,11-12H2,1-2H3
InChIKeyTVGSYNNYDLVCSB-UHFFFAOYSA-N
MW325.31 g/mol
LogP5.50
Rot. Bonds5

About benzyl-[(2,3-dichlorophenyl)methoxy]-dimethylsilane

benzyl-[(2,3-dichlorophenyl)methoxy]-dimethylsilane (PubChem CID 91737119) has the molecular formula C16H18Cl2OSi and a molecular weight of 325.31 g/mol. Its IUPAC name is benzyl-[(2,3-dichlorophenyl)methoxy]-dimethylsilane.

Molecular Properties

Compound Namebenzyl-[(2,3-dichlorophenyl)methoxy]-dimethylsilane
PubChem CID91737119
Molecular FormulaC16H18Cl2OSi
Molecular Weight325.31 g/mol
Exact Mass324.05
IUPAC Namebenzyl-[(2,3-dichlorophenyl)methoxy]-dimethylsilane
SMILESC[Si](C)(Cc1ccccc1)OCc1cccc(Cl)c1Cl
InChIInChI=1S/C16H18Cl2OSi/c1-20(2,12-13-7-4-3-5-8-13)19-11-14-9-6-10-15(17)16(14)18/h3-10H,11-12H2,1-2H3
InChIKeyTVGSYNNYDLVCSB-UHFFFAOYSA-N
XLogP5.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.31
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2,5-Dichlorophenyl)methanol, dimethylpentafluorophenylsilyl ether
CID 91723516
2-Chloro-6-fluorobenzyl alcohol, benzyldimethylsilyl ether
CID 91735267
(2,6-Dichlorophenyl)metanol, dimethylpentafluorophenylsilyl ether
CID 91744443
(2,3-Dichlorophenyl)methanol, dimethylpentafluorophenylsilyl ether
CID 91744473
2-Chloro-6-fluorobenzyl alcohol, tert-butyldimethylsilyl ether
CID 91733153
2-Chlorobenzyloxy-trimethylsilane
CID 11310436
3-(3,4-Dichlorophenyl)-3-butenol t-butyldimethylsilyl ether
CID 10871263
Silane, [[1-(3,4-dichlorophenyl)ethenyl]oxy]trimethyl-
CID 10999823
Tert-butyl-[(3-chloro-4-fluorophenyl)methoxy]-diphenylsilane
CID 141266258
4,4'-Dichlorobenzhydrol, TMS derivative
CID 10496262
Silane, diethyldi(4-chlorobenzyloxy)-
CID 91712565
Silane, dimethyldi(4-chlorobenzyloxy)-
CID 91712690

Frequently Asked Questions

What is the IUPAC name of benzyl-[(2,3-dichlorophenyl)methoxy]-dimethylsilane?
The IUPAC name of benzyl-[(2,3-dichlorophenyl)methoxy]-dimethylsilane (CID 91737119) is benzyl-[(2,3-dichlorophenyl)methoxy]-dimethylsilane.
What is the SMILES notation for benzyl-[(2,3-dichlorophenyl)methoxy]-dimethylsilane?
The canonical SMILES for benzyl-[(2,3-dichlorophenyl)methoxy]-dimethylsilane is C[Si](C)(Cc1ccccc1)OCc1cccc(Cl)c1Cl.
What is the InChIKey of benzyl-[(2,3-dichlorophenyl)methoxy]-dimethylsilane?
The InChIKey is TVGSYNNYDLVCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2OSi/c1-20(2,12-13-7-4-3-5-8-13)19-11-14-9-6-10-15(17)16(14)18/h3-10H,11-12H2,1-2H3.
What are the key properties of benzyl-[(2,3-dichlorophenyl)methoxy]-dimethylsilane?
benzyl-[(2,3-dichlorophenyl)methoxy]-dimethylsilane has a molecular weight of 325.31 g/mol, XLogP of 5.50, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[(2,3-dichlorophenyl)methoxy]-dimethylsilane is sourced from PubChem (CID 91737119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).