[5-(2-iodooxyethoxy)-2-methylphenyl] hypoiodite

C9H10I2O3 — CID 142869451

IUPAC[5-(2-iodooxyethoxy)-2-methylphenyl] hypoiodite
SMILESCc1ccc(OCCOI)cc1OI
InChIInChI=1S/C9H10I2O3/c1-7-2-3-8(6-9(7)14-11)12-4-5-13-10/h2-3,6H,4-5H2,1H3
InChIKeyMDOKQPQUZVXKJF-UHFFFAOYSA-N
MW419.98 g/mol
LogP3.47
Rot. Bonds5

About [5-(2-iodooxyethoxy)-2-methylphenyl] hypoiodite

[5-(2-iodooxyethoxy)-2-methylphenyl] hypoiodite (PubChem CID 142869451) has the molecular formula C9H10I2O3 and a molecular weight of 419.98 g/mol. Its IUPAC name is [5-(2-iodooxyethoxy)-2-methylphenyl] hypoiodite.

Molecular Properties

Compound Name[5-(2-iodooxyethoxy)-2-methylphenyl] hypoiodite
PubChem CID142869451
Molecular FormulaC9H10I2O3
Molecular Weight419.98 g/mol
Exact Mass419.87
IUPAC Name[5-(2-iodooxyethoxy)-2-methylphenyl] hypoiodite
SMILESCc1ccc(OCCOI)cc1OI
InChIInChI=1S/C9H10I2O3/c1-7-2-3-8(6-9(7)14-11)12-4-5-13-10/h2-3,6H,4-5H2,1H3
InChIKeyMDOKQPQUZVXKJF-UHFFFAOYSA-N
XLogP3.47
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.98
LogP ≤ 53.47
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'}

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Related Compounds

(5-methoxy-2-methylphenyl) hypoiodite
CID 142839630
4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene
CID 2195047
2,4-bis(2-fluoroethoxy)-1-methylbenzene
CID 15058706
4-[4-(3,4-dimethylphenoxy)butoxy]-1,2-dimethylbenzene
CID 2227623
2,4-bis(fluoromethoxy)-1-methylbenzene
CID 57232585
ethane;2-(3-methoxy-4-methylphenoxy)-N,N-dimethylethanamine
CID 144693051
1,2-dimethyl-4-propoxybenzene
CID 23549082
2-fluoro-4-(2-methoxyethoxy)-1-methylbenzene
CID 21363868
1,4-bis(2-iodoethoxy)-2-methylbenzene;ethane
CID 142841816
4-methoxy-2-(3-methoxypropoxy)-1-methylbenzene
CID 59177328
1,2-dimethyl-4-(2-propoxyethoxy)benzene
CID 155584258
4-(3-chloropropoxy)-1,2-dimethylbenzene
CID 16788005

Frequently Asked Questions

What is the IUPAC name of [5-(2-iodooxyethoxy)-2-methylphenyl] hypoiodite?
The IUPAC name of [5-(2-iodooxyethoxy)-2-methylphenyl] hypoiodite (CID 142869451) is [5-(2-iodooxyethoxy)-2-methylphenyl] hypoiodite.
What is the SMILES notation for [5-(2-iodooxyethoxy)-2-methylphenyl] hypoiodite?
The canonical SMILES for [5-(2-iodooxyethoxy)-2-methylphenyl] hypoiodite is Cc1ccc(OCCOI)cc1OI.
What is the InChIKey of [5-(2-iodooxyethoxy)-2-methylphenyl] hypoiodite?
The InChIKey is MDOKQPQUZVXKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10I2O3/c1-7-2-3-8(6-9(7)14-11)12-4-5-13-10/h2-3,6H,4-5H2,1H3.
What are the key properties of [5-(2-iodooxyethoxy)-2-methylphenyl] hypoiodite?
[5-(2-iodooxyethoxy)-2-methylphenyl] hypoiodite has a molecular weight of 419.98 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-iodooxyethoxy)-2-methylphenyl] hypoiodite is sourced from PubChem (CID 142869451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).