3-ethoxy-2,4-diiodophenol

C8H8I2O2 — CID 118990980

IUPAC3-ethoxy-2,4-diiodophenol
SMILESCCOc1c(I)ccc(O)c1I
InChIInChI=1S/C8H8I2O2/c1-2-12-8-5(9)3-4-6(11)7(8)10/h3-4,11H,2H2,1H3
InChIKeyBPCUYNQEYKCGTQ-UHFFFAOYSA-N
MW389.96 g/mol
LogP3.00
Rot. Bonds2

About 3-ethoxy-2,4-diiodophenol

3-ethoxy-2,4-diiodophenol (PubChem CID 118990980) has the molecular formula C8H8I2O2 and a molecular weight of 389.96 g/mol. Its IUPAC name is 3-ethoxy-2,4-diiodophenol.

Molecular Properties

Compound Name3-ethoxy-2,4-diiodophenol
PubChem CID118990980
Molecular FormulaC8H8I2O2
Molecular Weight389.96 g/mol
Exact Mass389.86
IUPAC Name3-ethoxy-2,4-diiodophenol
SMILESCCOc1c(I)ccc(O)c1I
InChIInChI=1S/C8H8I2O2/c1-2-12-8-5(9)3-4-6(11)7(8)10/h3-4,11H,2H2,1H3
InChIKeyBPCUYNQEYKCGTQ-UHFFFAOYSA-N
XLogP3.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.96
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-1,3-diiodobenzene
CID 165359155
2-ethoxy-3-fluoro-1,4-diiodobenzene
CID 118852860
3-ethoxy-1-iodo-2,4-dimethoxybenzene
CID 118835970
2,4-diethoxy-3-methylphenol
CID 11030728
1-[3-ethoxy-4-iodo-2-(trifluoromethyl)phenyl]ethanone
CID 171020983
1-[2-ethoxy-3-iodo-6-(trifluoromethyl)phenyl]ethanone
CID 171020211
4-ethoxy-3,5-diiodobenzamide
CID 24834347
2-ethoxy-3-iodo-1,4-dimethoxybenzene
CID 118824660
3-[(1R)-2-amino-1-hydroxyethyl]-2-ethoxyphenol
CID 22872523
2-ethoxy-6-iodophenol
CID 171366674
2-ethoxy-3,5-diiodobenzamide
CID 132591548
4-ethoxy-3,5-diiodobenzoic acid
CID 91972425

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,4-diiodophenol?
The IUPAC name of 3-ethoxy-2,4-diiodophenol (CID 118990980) is 3-ethoxy-2,4-diiodophenol.
What is the SMILES notation for 3-ethoxy-2,4-diiodophenol?
The canonical SMILES for 3-ethoxy-2,4-diiodophenol is CCOc1c(I)ccc(O)c1I.
What is the InChIKey of 3-ethoxy-2,4-diiodophenol?
The InChIKey is BPCUYNQEYKCGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8I2O2/c1-2-12-8-5(9)3-4-6(11)7(8)10/h3-4,11H,2H2,1H3.
What are the key properties of 3-ethoxy-2,4-diiodophenol?
3-ethoxy-2,4-diiodophenol has a molecular weight of 389.96 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,4-diiodophenol is sourced from PubChem (CID 118990980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).