3-(iodomethoxy)-1-nitronaphthalene

C11H8INO3 — CID 89486943

IUPAC3-(iodomethoxy)-1-nitronaphthalene
SMILESO=[N+]([O-])c1cc(OCI)cc2ccccc12
InChIInChI=1S/C11H8INO3/c12-7-16-9-5-8-3-1-2-4-10(8)11(6-9)13(14)15/h1-6H,7H2
InChIKeyPMGLJTKSIHEZNR-UHFFFAOYSA-N
MW329.09 g/mol
LogP3.52
Rot. Bonds3

About 3-(iodomethoxy)-1-nitronaphthalene

3-(iodomethoxy)-1-nitronaphthalene (PubChem CID 89486943) has the molecular formula C11H8INO3 and a molecular weight of 329.09 g/mol. Its IUPAC name is 3-(iodomethoxy)-1-nitronaphthalene.

Molecular Properties

Compound Name3-(iodomethoxy)-1-nitronaphthalene
PubChem CID89486943
Molecular FormulaC11H8INO3
Molecular Weight329.09 g/mol
Exact Mass328.95
IUPAC Name3-(iodomethoxy)-1-nitronaphthalene
SMILESO=[N+]([O-])c1cc(OCI)cc2ccccc12
InChIInChI=1S/C11H8INO3/c12-7-16-9-5-8-3-1-2-4-10(8)11(6-9)13(14)15/h1-6H,7H2
InChIKeyPMGLJTKSIHEZNR-UHFFFAOYSA-N
XLogP3.52
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.09
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(iodomethoxy)-1-nitronaphthalene?
The IUPAC name of 3-(iodomethoxy)-1-nitronaphthalene (CID 89486943) is 3-(iodomethoxy)-1-nitronaphthalene.
What is the SMILES notation for 3-(iodomethoxy)-1-nitronaphthalene?
The canonical SMILES for 3-(iodomethoxy)-1-nitronaphthalene is O=[N+]([O-])c1cc(OCI)cc2ccccc12.
What is the InChIKey of 3-(iodomethoxy)-1-nitronaphthalene?
The InChIKey is PMGLJTKSIHEZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8INO3/c12-7-16-9-5-8-3-1-2-4-10(8)11(6-9)13(14)15/h1-6H,7H2.
What are the key properties of 3-(iodomethoxy)-1-nitronaphthalene?
3-(iodomethoxy)-1-nitronaphthalene has a molecular weight of 329.09 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(iodomethoxy)-1-nitronaphthalene is sourced from PubChem (CID 89486943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).