3-[4-(2-iodophenyl)phenoxy]propyl-trimethylsilane

C18H23IOSi — CID 22116672

IUPAC3-[4-(2-iodophenyl)phenoxy]propyl-trimethylsilane
SMILESC[Si](C)(C)CCCOc1ccc(-c2ccccc2I)cc1
InChIInChI=1S/C18H23IOSi/c1-21(2,3)14-6-13-20-16-11-9-15(10-12-16)17-7-4-5-8-18(17)19/h4-5,7-12H,6,13-14H2,1-3H3
InChIKeyWDLGFEHTLCLOKH-UHFFFAOYSA-N
MW410.37 g/mol
LogP6.07
Rot. Bonds6

About 3-[4-(2-iodophenyl)phenoxy]propyl-trimethylsilane

3-[4-(2-iodophenyl)phenoxy]propyl-trimethylsilane (PubChem CID 22116672) has the molecular formula C18H23IOSi and a molecular weight of 410.37 g/mol. Its IUPAC name is 3-[4-(2-iodophenyl)phenoxy]propyl-trimethylsilane.

Molecular Properties

Compound Name3-[4-(2-iodophenyl)phenoxy]propyl-trimethylsilane
PubChem CID22116672
Molecular FormulaC18H23IOSi
Molecular Weight410.37 g/mol
Exact Mass410.06
IUPAC Name3-[4-(2-iodophenyl)phenoxy]propyl-trimethylsilane
SMILESC[Si](C)(C)CCCOc1ccc(-c2ccccc2I)cc1
InChIInChI=1S/C18H23IOSi/c1-21(2,3)14-6-13-20-16-11-9-15(10-12-16)17-7-4-5-8-18(17)19/h4-5,7-12H,6,13-14H2,1-3H3
InChIKeyWDLGFEHTLCLOKH-UHFFFAOYSA-N
XLogP6.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.37
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-iodophenyl)phenoxy]propyl-trimethylsilane?
The IUPAC name of 3-[4-(2-iodophenyl)phenoxy]propyl-trimethylsilane (CID 22116672) is 3-[4-(2-iodophenyl)phenoxy]propyl-trimethylsilane.
What is the SMILES notation for 3-[4-(2-iodophenyl)phenoxy]propyl-trimethylsilane?
The canonical SMILES for 3-[4-(2-iodophenyl)phenoxy]propyl-trimethylsilane is C[Si](C)(C)CCCOc1ccc(-c2ccccc2I)cc1.
What is the InChIKey of 3-[4-(2-iodophenyl)phenoxy]propyl-trimethylsilane?
The InChIKey is WDLGFEHTLCLOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23IOSi/c1-21(2,3)14-6-13-20-16-11-9-15(10-12-16)17-7-4-5-8-18(17)19/h4-5,7-12H,6,13-14H2,1-3H3.
What are the key properties of 3-[4-(2-iodophenyl)phenoxy]propyl-trimethylsilane?
3-[4-(2-iodophenyl)phenoxy]propyl-trimethylsilane has a molecular weight of 410.37 g/mol, XLogP of 6.07, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-iodophenyl)phenoxy]propyl-trimethylsilane is sourced from PubChem (CID 22116672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).