[2-(ethoxymethoxy)-3,5-diiodophenyl]methanol

C10H12I2O3 — CID 166021552

IUPAC[2-(ethoxymethoxy)-3,5-diiodophenyl]methanol
SMILESCCOCOc1c(I)cc(I)cc1CO
InChIInChI=1S/C10H12I2O3/c1-2-14-6-15-10-7(5-13)3-8(11)4-9(10)12/h3-4,13H,2,5-6H2,1H3
InChIKeyZJLLBYFGEXKUFP-UHFFFAOYSA-N
MW434.01 g/mol
LogP2.76
Rot. Bonds5

About [2-(ethoxymethoxy)-3,5-diiodophenyl]methanol

[2-(ethoxymethoxy)-3,5-diiodophenyl]methanol (PubChem CID 166021552) has the molecular formula C10H12I2O3 and a molecular weight of 434.01 g/mol. Its IUPAC name is [2-(ethoxymethoxy)-3,5-diiodophenyl]methanol.

Molecular Properties

Compound Name[2-(ethoxymethoxy)-3,5-diiodophenyl]methanol
PubChem CID166021552
Molecular FormulaC10H12I2O3
Molecular Weight434.01 g/mol
Exact Mass433.89
IUPAC Name[2-(ethoxymethoxy)-3,5-diiodophenyl]methanol
SMILESCCOCOc1c(I)cc(I)cc1CO
InChIInChI=1S/C10H12I2O3/c1-2-14-6-15-10-7(5-13)3-8(11)4-9(10)12/h3-4,13H,2,5-6H2,1H3
InChIKeyZJLLBYFGEXKUFP-UHFFFAOYSA-N
XLogP2.76
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.01
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(ethoxymethoxy)-3,5-diiodophenyl]methanol?
The IUPAC name of [2-(ethoxymethoxy)-3,5-diiodophenyl]methanol (CID 166021552) is [2-(ethoxymethoxy)-3,5-diiodophenyl]methanol.
What is the SMILES notation for [2-(ethoxymethoxy)-3,5-diiodophenyl]methanol?
The canonical SMILES for [2-(ethoxymethoxy)-3,5-diiodophenyl]methanol is CCOCOc1c(I)cc(I)cc1CO.
What is the InChIKey of [2-(ethoxymethoxy)-3,5-diiodophenyl]methanol?
The InChIKey is ZJLLBYFGEXKUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12I2O3/c1-2-14-6-15-10-7(5-13)3-8(11)4-9(10)12/h3-4,13H,2,5-6H2,1H3.
What are the key properties of [2-(ethoxymethoxy)-3,5-diiodophenyl]methanol?
[2-(ethoxymethoxy)-3,5-diiodophenyl]methanol has a molecular weight of 434.01 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxymethoxy)-3,5-diiodophenyl]methanol is sourced from PubChem (CID 166021552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).