2-(2-phenylmethoxyethoxy)ethoxy thiohypoiodite

C11H15IO3S — CID 146179686

IUPAC2-(2-phenylmethoxyethoxy)ethoxy thiohypoiodite
SMILESISOCCOCCOCc1ccccc1
InChIInChI=1S/C11H15IO3S/c12-16-15-9-8-13-6-7-14-10-11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKeyLKHYMALWPQXOTE-UHFFFAOYSA-N
MW354.21 g/mol
LogP3.23
Rot. Bonds9

About 2-(2-phenylmethoxyethoxy)ethoxy thiohypoiodite

2-(2-phenylmethoxyethoxy)ethoxy thiohypoiodite (PubChem CID 146179686) has the molecular formula C11H15IO3S and a molecular weight of 354.21 g/mol. Its IUPAC name is 2-(2-phenylmethoxyethoxy)ethoxy thiohypoiodite.

Molecular Properties

Compound Name2-(2-phenylmethoxyethoxy)ethoxy thiohypoiodite
PubChem CID146179686
Molecular FormulaC11H15IO3S
Molecular Weight354.21 g/mol
Exact Mass353.98
IUPAC Name2-(2-phenylmethoxyethoxy)ethoxy thiohypoiodite
SMILESISOCCOCCOCc1ccccc1
InChIInChI=1S/C11H15IO3S/c12-16-15-9-8-13-6-7-14-10-11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKeyLKHYMALWPQXOTE-UHFFFAOYSA-N
XLogP3.23
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.21
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-phenylmethoxybutoxy thiohypoiodite
CID 142364992
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
2-(trifluoromethylsulfanyloxy)ethoxymethylbenzene
CID 146493761
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene
CID 153014245
2-(2-phenylmethoxyethoxy)ethoxymethanol
CID 57257914
2-[2-(2-iodosulfanyloxyethoxy)ethoxy]ethoxy thiohypoiodite
CID 134536296
2-iodoethoxymethylbenzene
CID 10355314
ethane;phenylmethoxymethylbenzene
CID 90943549
(4,4-difluoro-3,3-dimethyl-5-phenylmethoxypentoxy) thiohypoiodite
CID 171076213
2-(2,2,2-trifluoroethoxy)ethoxymethylbenzene
CID 14221122
2-[2-[(1S,2R,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-[2-(2-phenylmethoxyethoxy)ethoxy]cyclohexyl]oxyethoxy]ethoxymethylbenzene
CID 10941970

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylmethoxyethoxy)ethoxy thiohypoiodite?
The IUPAC name of 2-(2-phenylmethoxyethoxy)ethoxy thiohypoiodite (CID 146179686) is 2-(2-phenylmethoxyethoxy)ethoxy thiohypoiodite.
What is the SMILES notation for 2-(2-phenylmethoxyethoxy)ethoxy thiohypoiodite?
The canonical SMILES for 2-(2-phenylmethoxyethoxy)ethoxy thiohypoiodite is ISOCCOCCOCc1ccccc1.
What is the InChIKey of 2-(2-phenylmethoxyethoxy)ethoxy thiohypoiodite?
The InChIKey is LKHYMALWPQXOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IO3S/c12-16-15-9-8-13-6-7-14-10-11-4-2-1-3-5-11/h1-5H,6-10H2.
What are the key properties of 2-(2-phenylmethoxyethoxy)ethoxy thiohypoiodite?
2-(2-phenylmethoxyethoxy)ethoxy thiohypoiodite has a molecular weight of 354.21 g/mol, XLogP of 3.23, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylmethoxyethoxy)ethoxy thiohypoiodite is sourced from PubChem (CID 146179686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).