1-iodo-1,4-dihydronaphthalene

C10H9I — CID 173009204

IUPAC1-iodo-1,4-dihydronaphthalene
SMILESIC1C=CCc2ccccc21
InChIInChI=1S/C10H9I/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-4,6-7,10H,5H2
InChIKeyUNSIPYABVRZKQC-UHFFFAOYSA-N
MW256.09 g/mol
LogP3.28
Rot. Bonds

About 1-iodo-1,4-dihydronaphthalene

1-iodo-1,4-dihydronaphthalene (PubChem CID 173009204) has the molecular formula C10H9I and a molecular weight of 256.09 g/mol. Its IUPAC name is 1-iodo-1,4-dihydronaphthalene.

Molecular Properties

Compound Name1-iodo-1,4-dihydronaphthalene
PubChem CID173009204
Molecular FormulaC10H9I
Molecular Weight256.09 g/mol
Exact Mass255.97
IUPAC Name1-iodo-1,4-dihydronaphthalene
SMILESIC1C=CCc2ccccc21
InChIInChI=1S/C10H9I/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-4,6-7,10H,5H2
InChIKeyUNSIPYABVRZKQC-UHFFFAOYSA-N
XLogP3.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.09
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-iodo-1,4-dihydronaphthalene?
The IUPAC name of 1-iodo-1,4-dihydronaphthalene (CID 173009204) is 1-iodo-1,4-dihydronaphthalene.
What is the SMILES notation for 1-iodo-1,4-dihydronaphthalene?
The canonical SMILES for 1-iodo-1,4-dihydronaphthalene is IC1C=CCc2ccccc21.
What is the InChIKey of 1-iodo-1,4-dihydronaphthalene?
The InChIKey is UNSIPYABVRZKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9I/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-4,6-7,10H,5H2.
What are the key properties of 1-iodo-1,4-dihydronaphthalene?
1-iodo-1,4-dihydronaphthalene has a molecular weight of 256.09 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-1,4-dihydronaphthalene is sourced from PubChem (CID 173009204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).