[1-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl] selenocyanate

C23H17NO2Se — CID 132518889

IUPAC[1-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl] selenocyanate
SMILESCOCOc1ccc2ccccc2c1-c1c([Se]C#N)ccc2ccccc12
InChIInChI=1S/C23H17NO2Se/c1-25-15-26-20-12-10-16-6-2-4-8-18(16)22(20)23-19-9-5-3-7-17(19)11-13-21(23)27-14-24/h2-13H,15H2,1H3
InChIKeyRGRHNZUUUVJOMH-UHFFFAOYSA-N
MW418.35 g/mol
LogP4.45
Rot. Bonds5

About [1-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl] selenocyanate

[1-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl] selenocyanate (PubChem CID 132518889) has the molecular formula C23H17NO2Se and a molecular weight of 418.35 g/mol. Its IUPAC name is [1-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl] selenocyanate.

Molecular Properties

Compound Name[1-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl] selenocyanate
PubChem CID132518889
Molecular FormulaC23H17NO2Se
Molecular Weight418.35 g/mol
Exact Mass419.04
IUPAC Name[1-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl] selenocyanate
SMILESCOCOc1ccc2ccccc2c1-c1c([Se]C#N)ccc2ccccc12
InChIInChI=1S/C23H17NO2Se/c1-25-15-26-20-12-10-16-6-2-4-8-18(16)22(20)23-19-9-5-3-7-17(19)11-13-21(23)27-14-24/h2-13H,15H2,1H3
InChIKeyRGRHNZUUUVJOMH-UHFFFAOYSA-N
XLogP4.45
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.35
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl] selenocyanate?
The IUPAC name of [1-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl] selenocyanate (CID 132518889) is [1-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl] selenocyanate.
What is the SMILES notation for [1-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl] selenocyanate?
The canonical SMILES for [1-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl] selenocyanate is COCOc1ccc2ccccc2c1-c1c([Se]C#N)ccc2ccccc12.
What is the InChIKey of [1-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl] selenocyanate?
The InChIKey is RGRHNZUUUVJOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO2Se/c1-25-15-26-20-12-10-16-6-2-4-8-18(16)22(20)23-19-9-5-3-7-17(19)11-13-21(23)27-14-24/h2-13H,15H2,1H3.
What are the key properties of [1-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl] selenocyanate?
[1-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl] selenocyanate has a molecular weight of 418.35 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl] selenocyanate is sourced from PubChem (CID 132518889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).