2-[(5-iodo-3-phenylindazol-1-yl)methoxy]ethyl-trimethylsilane

C19H23IN2OSi — CID 20580678

IUPAC2-[(5-iodo-3-phenylindazol-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(-c2ccccc2)c2cc(I)ccc21
InChIInChI=1S/C19H23IN2OSi/c1-24(2,3)12-11-23-14-22-18-10-9-16(20)13-17(18)19(21-22)15-7-5-4-6-8-15/h4-10,13H,11-12,14H2,1-3H3
InChIKeyIXMAMAZWORDYHP-UHFFFAOYSA-N
MW450.40 g/mol
LogP5.62
Rot. Bonds6

About 2-[(5-iodo-3-phenylindazol-1-yl)methoxy]ethyl-trimethylsilane

2-[(5-iodo-3-phenylindazol-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 20580678) has the molecular formula C19H23IN2OSi and a molecular weight of 450.40 g/mol. Its IUPAC name is 2-[(5-iodo-3-phenylindazol-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(5-iodo-3-phenylindazol-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID20580678
Molecular FormulaC19H23IN2OSi
Molecular Weight450.40 g/mol
Exact Mass450.06
IUPAC Name2-[(5-iodo-3-phenylindazol-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(-c2ccccc2)c2cc(I)ccc21
InChIInChI=1S/C19H23IN2OSi/c1-24(2,3)12-11-23-14-22-18-10-9-16(20)13-17(18)19(21-22)15-7-5-4-6-8-15/h4-10,13H,11-12,14H2,1-3H3
InChIKeyIXMAMAZWORDYHP-UHFFFAOYSA-N
XLogP5.62
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.40
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-[(5-iodo-3-phenylindazol-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(5-iodo-3-phenylindazol-1-yl)methoxy]ethyl-trimethylsilane (CID 20580678) is 2-[(5-iodo-3-phenylindazol-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(5-iodo-3-phenylindazol-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(5-iodo-3-phenylindazol-1-yl)methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1nc(-c2ccccc2)c2cc(I)ccc21.
What is the InChIKey of 2-[(5-iodo-3-phenylindazol-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is IXMAMAZWORDYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23IN2OSi/c1-24(2,3)12-11-23-14-22-18-10-9-16(20)13-17(18)19(21-22)15-7-5-4-6-8-15/h4-10,13H,11-12,14H2,1-3H3.
What are the key properties of 2-[(5-iodo-3-phenylindazol-1-yl)methoxy]ethyl-trimethylsilane?
2-[(5-iodo-3-phenylindazol-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 450.40 g/mol, XLogP of 5.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-iodo-3-phenylindazol-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 20580678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).