3-iodo-9-[2-(2-methoxyethoxy)ethoxymethyl]carbazole

C18H20INO3 — CID 138520058

IUPAC3-iodo-9-[2-(2-methoxyethoxy)ethoxymethyl]carbazole
SMILESCOCCOCCOCn1c2ccccc2c2cc(I)ccc21
InChIInChI=1S/C18H20INO3/c1-21-8-9-22-10-11-23-13-20-17-5-3-2-4-15(17)16-12-14(19)6-7-18(16)20/h2-7,12H,8-11,13H2,1H3
InChIKeyIMILYBXYAZBLEN-UHFFFAOYSA-N
MW425.27 g/mol
LogP4.04
Rot. Bonds8

About 3-iodo-9-[2-(2-methoxyethoxy)ethoxymethyl]carbazole

3-iodo-9-[2-(2-methoxyethoxy)ethoxymethyl]carbazole (PubChem CID 138520058) has the molecular formula C18H20INO3 and a molecular weight of 425.27 g/mol. Its IUPAC name is 3-iodo-9-[2-(2-methoxyethoxy)ethoxymethyl]carbazole.

Molecular Properties

Compound Name3-iodo-9-[2-(2-methoxyethoxy)ethoxymethyl]carbazole
PubChem CID138520058
Molecular FormulaC18H20INO3
Molecular Weight425.27 g/mol
Exact Mass425.05
IUPAC Name3-iodo-9-[2-(2-methoxyethoxy)ethoxymethyl]carbazole
SMILESCOCCOCCOCn1c2ccccc2c2cc(I)ccc21
InChIInChI=1S/C18H20INO3/c1-21-8-9-22-10-11-23-13-20-17-5-3-2-4-15(17)16-12-14(19)6-7-18(16)20/h2-7,12H,8-11,13H2,1H3
InChIKeyIMILYBXYAZBLEN-UHFFFAOYSA-N
XLogP4.04
TPSA32.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.27
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-iodo-9-[2-(2-methoxyethoxy)ethoxymethyl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-iodo-9-[2-(2-methoxyethoxy)ethoxymethyl]carbazole?
The IUPAC name of 3-iodo-9-[2-(2-methoxyethoxy)ethoxymethyl]carbazole (CID 138520058) is 3-iodo-9-[2-(2-methoxyethoxy)ethoxymethyl]carbazole.
What is the SMILES notation for 3-iodo-9-[2-(2-methoxyethoxy)ethoxymethyl]carbazole?
The canonical SMILES for 3-iodo-9-[2-(2-methoxyethoxy)ethoxymethyl]carbazole is COCCOCCOCn1c2ccccc2c2cc(I)ccc21.
What is the InChIKey of 3-iodo-9-[2-(2-methoxyethoxy)ethoxymethyl]carbazole?
The InChIKey is IMILYBXYAZBLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20INO3/c1-21-8-9-22-10-11-23-13-20-17-5-3-2-4-15(17)16-12-14(19)6-7-18(16)20/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 3-iodo-9-[2-(2-methoxyethoxy)ethoxymethyl]carbazole?
3-iodo-9-[2-(2-methoxyethoxy)ethoxymethyl]carbazole has a molecular weight of 425.27 g/mol, XLogP of 4.04, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-9-[2-(2-methoxyethoxy)ethoxymethyl]carbazole is sourced from PubChem (CID 138520058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).