4-phenylmethoxybutoxy thiohypoiodite

C11H15IO2S — CID 142364992

IUPAC4-phenylmethoxybutoxy thiohypoiodite
SMILESISOCCCCOCc1ccccc1
InChIInChI=1S/C11H15IO2S/c12-15-14-9-5-4-8-13-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2
InChIKeySRFSDLDVQMUILN-UHFFFAOYSA-N
MW338.21 g/mol
LogP4.00
Rot. Bonds8

About 4-phenylmethoxybutoxy thiohypoiodite

4-phenylmethoxybutoxy thiohypoiodite (PubChem CID 142364992) has the molecular formula C11H15IO2S and a molecular weight of 338.21 g/mol. Its IUPAC name is 4-phenylmethoxybutoxy thiohypoiodite.

Molecular Properties

Compound Name4-phenylmethoxybutoxy thiohypoiodite
PubChem CID142364992
Molecular FormulaC11H15IO2S
Molecular Weight338.21 g/mol
Exact Mass337.98
IUPAC Name4-phenylmethoxybutoxy thiohypoiodite
SMILESISOCCCCOCc1ccccc1
InChIInChI=1S/C11H15IO2S/c12-15-14-9-5-4-8-13-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2
InChIKeySRFSDLDVQMUILN-UHFFFAOYSA-N
XLogP4.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2-(2-phenylmethoxyethoxy)ethoxy thiohypoiodite
CID 146179686
4-[(4-methoxyphenyl)methoxy]butoxy thiohypoiodite
CID 170713872
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
5-bromopentoxymethylbenzene;1,5-dibromopentane
CID 161240377
15-bromopentadecoxymethylbenzene
CID 11338468
butoxymethylbenzene;ethane
CID 145341806
(9-bromo-9,9-dideuteriononoxy)methylbenzene
CID 162744112
20-phenylmethoxyicos-10-enoxymethylbenzene
CID 54404919
5-(5-phenylmethoxypentoxy)pentan-1-ol
CID 155584786
1,3,5-tris[5-[3,5-bis[5-[3,5-bis(5-phenylmethoxypentoxy)phenoxy]pentoxy]phenoxy]pentoxy]benzene
CID 134929469
2,4,6-tris(4-phenylmethoxybutoxy)-1,3,5-triazine
CID 139880669
tris(8-phenylmethoxyoctyl)borane
CID 102473578

Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxybutoxy thiohypoiodite?
The IUPAC name of 4-phenylmethoxybutoxy thiohypoiodite (CID 142364992) is 4-phenylmethoxybutoxy thiohypoiodite.
What is the SMILES notation for 4-phenylmethoxybutoxy thiohypoiodite?
The canonical SMILES for 4-phenylmethoxybutoxy thiohypoiodite is ISOCCCCOCc1ccccc1.
What is the InChIKey of 4-phenylmethoxybutoxy thiohypoiodite?
The InChIKey is SRFSDLDVQMUILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IO2S/c12-15-14-9-5-4-8-13-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2.
What are the key properties of 4-phenylmethoxybutoxy thiohypoiodite?
4-phenylmethoxybutoxy thiohypoiodite has a molecular weight of 338.21 g/mol, XLogP of 4.00, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxybutoxy thiohypoiodite is sourced from PubChem (CID 142364992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).