2-ethoxy-1,3-diiodobenzene

C8H8I2O — CID 165359155

IUPAC2-ethoxy-1,3-diiodobenzene
SMILESCCOc1c(I)cccc1I
InChIInChI=1S/C8H8I2O/c1-2-11-8-6(9)4-3-5-7(8)10/h3-5H,2H2,1H3
InChIKeySQHDHKVGQHFISM-UHFFFAOYSA-N
MW373.96 g/mol
LogP3.29
Rot. Bonds2

About 2-ethoxy-1,3-diiodobenzene

2-ethoxy-1,3-diiodobenzene (PubChem CID 165359155) has the molecular formula C8H8I2O and a molecular weight of 373.96 g/mol. Its IUPAC name is 2-ethoxy-1,3-diiodobenzene.

Molecular Properties

Compound Name2-ethoxy-1,3-diiodobenzene
PubChem CID165359155
Molecular FormulaC8H8I2O
Molecular Weight373.96 g/mol
Exact Mass373.87
IUPAC Name2-ethoxy-1,3-diiodobenzene
SMILESCCOc1c(I)cccc1I
InChIInChI=1S/C8H8I2O/c1-2-11-8-6(9)4-3-5-7(8)10/h3-5H,2H2,1H3
InChIKeySQHDHKVGQHFISM-UHFFFAOYSA-N
XLogP3.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.96
LogP ≤ 53.29
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

2-ethoxy-3-fluoro-1,4-diiodobenzene
CID 118852860
3-ethoxy-2,4-diiodophenol
CID 118990980
2-ethoxy-6-iodophenol
CID 171366674
1,3-diiodo-2-methoxybenzene
CID 12610037
3-ethoxy-1-iodo-2,4-dimethoxybenzene
CID 118835970
ethane;2-ethoxy-1,3-dimethylbenzene
CID 91163284
4-ethoxy-3,5-diiodobenzamide
CID 24834347
2-ethoxy-1,3-di(propan-2-yl)benzene
CID 20769463
2-ethoxy-7-iodo-1-benzothiophene-3-thiol
CID 130898611
1-iodo-3-[3-iodo-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)benzene
CID 139094627
2-ethoxy-1,3-dipropylbenzene
CID 14665558
[2-ethoxy-3-(hydroxymethyl)phenyl]methanol
CID 118269330

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1,3-diiodobenzene?
The IUPAC name of 2-ethoxy-1,3-diiodobenzene (CID 165359155) is 2-ethoxy-1,3-diiodobenzene.
What is the SMILES notation for 2-ethoxy-1,3-diiodobenzene?
The canonical SMILES for 2-ethoxy-1,3-diiodobenzene is CCOc1c(I)cccc1I.
What is the InChIKey of 2-ethoxy-1,3-diiodobenzene?
The InChIKey is SQHDHKVGQHFISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8I2O/c1-2-11-8-6(9)4-3-5-7(8)10/h3-5H,2H2,1H3.
What are the key properties of 2-ethoxy-1,3-diiodobenzene?
2-ethoxy-1,3-diiodobenzene has a molecular weight of 373.96 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1,3-diiodobenzene is sourced from PubChem (CID 165359155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).