4-methoxy-2-nitro-1-phenylselanylbenzene

C13H11NO3Se — CID 141490695

IUPAC4-methoxy-2-nitro-1-phenylselanylbenzene
SMILESCOc1ccc([Se]c2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H11NO3Se/c1-17-10-7-8-13(12(9-10)14(15)16)18-11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyDOHXCOVYQKGAAG-UHFFFAOYSA-N
MW308.19 g/mol
LogP1.26
Rot. Bonds4

About 4-methoxy-2-nitro-1-phenylselanylbenzene

4-methoxy-2-nitro-1-phenylselanylbenzene (PubChem CID 141490695) has the molecular formula C13H11NO3Se and a molecular weight of 308.19 g/mol. Its IUPAC name is 4-methoxy-2-nitro-1-phenylselanylbenzene.

Molecular Properties

Compound Name4-methoxy-2-nitro-1-phenylselanylbenzene
PubChem CID141490695
Molecular FormulaC13H11NO3Se
Molecular Weight308.19 g/mol
Exact Mass308.99
IUPAC Name4-methoxy-2-nitro-1-phenylselanylbenzene
SMILESCOc1ccc([Se]c2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H11NO3Se/c1-17-10-7-8-13(12(9-10)14(15)16)18-11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyDOHXCOVYQKGAAG-UHFFFAOYSA-N
XLogP1.26
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.19
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-nitro-1-phenylselanylbenzene?
The IUPAC name of 4-methoxy-2-nitro-1-phenylselanylbenzene (CID 141490695) is 4-methoxy-2-nitro-1-phenylselanylbenzene.
What is the SMILES notation for 4-methoxy-2-nitro-1-phenylselanylbenzene?
The canonical SMILES for 4-methoxy-2-nitro-1-phenylselanylbenzene is COc1ccc([Se]c2ccccc2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-methoxy-2-nitro-1-phenylselanylbenzene?
The InChIKey is DOHXCOVYQKGAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3Se/c1-17-10-7-8-13(12(9-10)14(15)16)18-11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of 4-methoxy-2-nitro-1-phenylselanylbenzene?
4-methoxy-2-nitro-1-phenylselanylbenzene has a molecular weight of 308.19 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-nitro-1-phenylselanylbenzene is sourced from PubChem (CID 141490695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).