2-(4-nitrophenoxy)ethyl selenocyanate

C9H8N2O3Se — CID 155544236

IUPAC2-(4-nitrophenoxy)ethyl selenocyanate
SMILESN#C[Se]CCOc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H8N2O3Se/c10-7-15-6-5-14-9-3-1-8(2-4-9)11(12)13/h1-4H,5-6H2
InChIKeyIPDXAGOYCWCTQJ-UHFFFAOYSA-N
MW271.13 g/mol
LogP1.58
Rot. Bonds5

About 2-(4-nitrophenoxy)ethyl selenocyanate

2-(4-nitrophenoxy)ethyl selenocyanate (PubChem CID 155544236) has the molecular formula C9H8N2O3Se and a molecular weight of 271.13 g/mol. Its IUPAC name is 2-(4-nitrophenoxy)ethyl selenocyanate.

Molecular Properties

Compound Name2-(4-nitrophenoxy)ethyl selenocyanate
PubChem CID155544236
Molecular FormulaC9H8N2O3Se
Molecular Weight271.13 g/mol
Exact Mass271.97
IUPAC Name2-(4-nitrophenoxy)ethyl selenocyanate
SMILESN#C[Se]CCOc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H8N2O3Se/c10-7-15-6-5-14-9-3-1-8(2-4-9)11(12)13/h1-4H,5-6H2
InChIKeyIPDXAGOYCWCTQJ-UHFFFAOYSA-N
XLogP1.58
TPSA76.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.13
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-nitro-4-[2-[2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 13072768
1-(4-bromobutoxy)-4-nitrobenzene
CID 2063669
1-(3-iodopropoxy)-4-nitrobenzene
CID 15675890
3-(4-nitrophenoxy)propanoate
CID 6993075
1-nitro-4-octadecoxybenzene
CID 4258205
2-(4-nitrophenoxy)ethyl formate
CID 91696305
2,2-dimethyl-6-(4-nitrophenoxy)hexanenitrile
CID 106710452
1-(iodomethoxy)-4-nitrobenzene
CID 70647757
(4-nitrophenyl)-[4-[8-[4-[(4-nitrophenyl)diazenyl]phenoxy]octoxy]phenyl]diazene
CID 102425996
2-[2-[2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 170563879
2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 14691830
1-(2-cyclopropylethoxy)-4-nitrobenzene
CID 67453725

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenoxy)ethyl selenocyanate?
The IUPAC name of 2-(4-nitrophenoxy)ethyl selenocyanate (CID 155544236) is 2-(4-nitrophenoxy)ethyl selenocyanate.
What is the SMILES notation for 2-(4-nitrophenoxy)ethyl selenocyanate?
The canonical SMILES for 2-(4-nitrophenoxy)ethyl selenocyanate is N#C[Se]CCOc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(4-nitrophenoxy)ethyl selenocyanate?
The InChIKey is IPDXAGOYCWCTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3Se/c10-7-15-6-5-14-9-3-1-8(2-4-9)11(12)13/h1-4H,5-6H2.
What are the key properties of 2-(4-nitrophenoxy)ethyl selenocyanate?
2-(4-nitrophenoxy)ethyl selenocyanate has a molecular weight of 271.13 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenoxy)ethyl selenocyanate is sourced from PubChem (CID 155544236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).