(3-ethylphenyl) hypoiodite

C8H9IO — CID 71211599

IUPAC(3-ethylphenyl) hypoiodite
SMILESCCc1cccc(OI)c1
InChIInChI=1S/C8H9IO/c1-2-7-4-3-5-8(6-7)10-9/h3-6H,2H2,1H3
InChIKeyGWVJGHULRZGDLS-UHFFFAOYSA-N
MW248.06 g/mol
LogP2.98
Rot. Bonds2

About (3-ethylphenyl) hypoiodite

(3-ethylphenyl) hypoiodite (PubChem CID 71211599) has the molecular formula C8H9IO and a molecular weight of 248.06 g/mol. Its IUPAC name is (3-ethylphenyl) hypoiodite.

Molecular Properties

Compound Name(3-ethylphenyl) hypoiodite
PubChem CID71211599
Molecular FormulaC8H9IO
Molecular Weight248.06 g/mol
Exact Mass247.97
IUPAC Name(3-ethylphenyl) hypoiodite
SMILESCCc1cccc(OI)c1
InChIInChI=1S/C8H9IO/c1-2-7-4-3-5-8(6-7)10-9/h3-6H,2H2,1H3
InChIKeyGWVJGHULRZGDLS-UHFFFAOYSA-N
XLogP2.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.06
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-methoxybenzene;hydrofluoride
CID 174493623
1-ethyl-3-methanidyloxybenzene;yttrium
CID 59798330
1-ethyl-3-(3-phenoxypropoxy)benzene
CID 64765118
1-(3-ethylphenoxy)ethanol
CID 66709778
ethane;1-ethyl-3-(2-methoxyethoxy)benzene
CID 143725382
(3-ethylphenyl) hydrogen sulfate
CID 86290012
1-(2-ethoxyethoxy)-3-ethylbenzene
CID 60642871
ethane;1-ethyl-3-(1-fluoroethoxy)benzene
CID 170603835
1-(4-bromobutoxy)-3-ethylbenzene
CID 43165198
7-azabicyclo[4.1.0]hepta-1,3,5-triene;1-ethyl-3-methoxybenzene
CID 20539517
1-ethyl-3-(3-methylbutoxy)benzene
CID 64763822
1-(3-ethoxypropoxy)-3-ethylbenzene
CID 65178127

Frequently Asked Questions

What is the IUPAC name of (3-ethylphenyl) hypoiodite?
The IUPAC name of (3-ethylphenyl) hypoiodite (CID 71211599) is (3-ethylphenyl) hypoiodite.
What is the SMILES notation for (3-ethylphenyl) hypoiodite?
The canonical SMILES for (3-ethylphenyl) hypoiodite is CCc1cccc(OI)c1.
What is the InChIKey of (3-ethylphenyl) hypoiodite?
The InChIKey is GWVJGHULRZGDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IO/c1-2-7-4-3-5-8(6-7)10-9/h3-6H,2H2,1H3.
What are the key properties of (3-ethylphenyl) hypoiodite?
(3-ethylphenyl) hypoiodite has a molecular weight of 248.06 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylphenyl) hypoiodite is sourced from PubChem (CID 71211599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).