[4-[(4-hydroxyphenyl)diazenyl]phenyl] selenocyanate

C13H9N3OSe — CID 155559941

IUPAC[4-[(4-hydroxyphenyl)diazenyl]phenyl] selenocyanate
SMILESN#C[Se]c1ccc(/N=N/c2ccc(O)cc2)cc1
InChIInChI=1S/C13H9N3OSe/c14-9-18-13-7-3-11(4-8-13)16-15-10-1-5-12(17)6-2-10/h1-8,17H/b16-15+
InChIKeyBYKXNTSQNOILIG-FOCLMDBBSA-N
MW302.20 g/mol
LogP2.62
Rot. Bonds3

About [4-[(4-hydroxyphenyl)diazenyl]phenyl] selenocyanate

[4-[(4-hydroxyphenyl)diazenyl]phenyl] selenocyanate (PubChem CID 155559941) has the molecular formula C13H9N3OSe and a molecular weight of 302.20 g/mol. Its IUPAC name is [4-[(4-hydroxyphenyl)diazenyl]phenyl] selenocyanate.

Molecular Properties

Compound Name[4-[(4-hydroxyphenyl)diazenyl]phenyl] selenocyanate
PubChem CID155559941
Molecular FormulaC13H9N3OSe
Molecular Weight302.20 g/mol
Exact Mass302.99
IUPAC Name[4-[(4-hydroxyphenyl)diazenyl]phenyl] selenocyanate
SMILESN#C[Se]c1ccc(/N=N/c2ccc(O)cc2)cc1
InChIInChI=1S/C13H9N3OSe/c14-9-18-13-7-3-11(4-8-13)16-15-10-1-5-12(17)6-2-10/h1-8,17H/b16-15+
InChIKeyBYKXNTSQNOILIG-FOCLMDBBSA-N
XLogP2.62
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-hydroxyphenyl)diazenyl]phenyl] selenocyanate?
The IUPAC name of [4-[(4-hydroxyphenyl)diazenyl]phenyl] selenocyanate (CID 155559941) is [4-[(4-hydroxyphenyl)diazenyl]phenyl] selenocyanate.
What is the SMILES notation for [4-[(4-hydroxyphenyl)diazenyl]phenyl] selenocyanate?
The canonical SMILES for [4-[(4-hydroxyphenyl)diazenyl]phenyl] selenocyanate is N#C[Se]c1ccc(/N=N/c2ccc(O)cc2)cc1.
What is the InChIKey of [4-[(4-hydroxyphenyl)diazenyl]phenyl] selenocyanate?
The InChIKey is BYKXNTSQNOILIG-FOCLMDBBSA-N. The full InChI is InChI=1S/C13H9N3OSe/c14-9-18-13-7-3-11(4-8-13)16-15-10-1-5-12(17)6-2-10/h1-8,17H/b16-15+.
What are the key properties of [4-[(4-hydroxyphenyl)diazenyl]phenyl] selenocyanate?
[4-[(4-hydroxyphenyl)diazenyl]phenyl] selenocyanate has a molecular weight of 302.20 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-hydroxyphenyl)diazenyl]phenyl] selenocyanate is sourced from PubChem (CID 155559941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).