1,8-diiodonaphthalene

C10H6I2 — CID 633286

IUPAC1,8-diiodonaphthalene
SMILESIc1cccc2cccc(I)c12
InChIInChI=1S/C10H6I2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6H
InChIKeyFURHMGVKKGEGMZ-UHFFFAOYSA-N
MW379.97 g/mol
LogP4.05
Rot. Bonds

About 1,8-diiodonaphthalene

1,8-diiodonaphthalene (PubChem CID 633286) has the molecular formula C10H6I2 and a molecular weight of 379.97 g/mol. Its IUPAC name is 1,8-diiodonaphthalene.

Molecular Properties

Compound Name1,8-diiodonaphthalene
PubChem CID633286
Molecular FormulaC10H6I2
Molecular Weight379.97 g/mol
Exact Mass379.86
IUPAC Name1,8-diiodonaphthalene
SMILESIc1cccc2cccc(I)c12
InChIInChI=1S/C10H6I2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6H
InChIKeyFURHMGVKKGEGMZ-UHFFFAOYSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.97
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,8-diiodonaphthalene 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 1,8-diiodonaphthalene?
The IUPAC name of 1,8-diiodonaphthalene (CID 633286) is 1,8-diiodonaphthalene.
What is the SMILES notation for 1,8-diiodonaphthalene?
The canonical SMILES for 1,8-diiodonaphthalene is Ic1cccc2cccc(I)c12.
What is the InChIKey of 1,8-diiodonaphthalene?
The InChIKey is FURHMGVKKGEGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6I2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6H.
What are the key properties of 1,8-diiodonaphthalene?
1,8-diiodonaphthalene has a molecular weight of 379.97 g/mol, XLogP of 4.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-diiodonaphthalene is sourced from PubChem (CID 633286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).