2-[C-methyl-N-(2-phenylselanylethyl)carbonimidoyl]phenol

C16H17NOSe — CID 135844947

IUPAC2-[C-methyl-N-(2-phenylselanylethyl)carbonimidoyl]phenol
SMILESC/C(=N\CC[Se]c1ccccc1)c1ccccc1O
InChIInChI=1S/C16H17NOSe/c1-13(15-9-5-6-10-16(15)18)17-11-12-19-14-7-3-2-4-8-14/h2-10,18H,11-12H2,1H3/b17-13+
InChIKeyANMSUAGENBIQHY-GHRIWEEISA-N
MW318.28 g/mol
LogP2.65
Rot. Bonds5

About 2-[C-methyl-N-(2-phenylselanylethyl)carbonimidoyl]phenol

2-[C-methyl-N-(2-phenylselanylethyl)carbonimidoyl]phenol (PubChem CID 135844947) has the molecular formula C16H17NOSe and a molecular weight of 318.28 g/mol. Its IUPAC name is 2-[C-methyl-N-(2-phenylselanylethyl)carbonimidoyl]phenol.

Molecular Properties

Compound Name2-[C-methyl-N-(2-phenylselanylethyl)carbonimidoyl]phenol
PubChem CID135844947
Molecular FormulaC16H17NOSe
Molecular Weight318.28 g/mol
Exact Mass319.05
IUPAC Name2-[C-methyl-N-(2-phenylselanylethyl)carbonimidoyl]phenol
SMILESC/C(=N\CC[Se]c1ccccc1)c1ccccc1O
InChIInChI=1S/C16H17NOSe/c1-13(15-9-5-6-10-16(15)18)17-11-12-19-14-7-3-2-4-8-14/h2-10,18H,11-12H2,1H3/b17-13+
InChIKeyANMSUAGENBIQHY-GHRIWEEISA-N
XLogP2.65
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[C-methyl-N-(2-phenylselanylethyl)carbonimidoyl]phenol?
The IUPAC name of 2-[C-methyl-N-(2-phenylselanylethyl)carbonimidoyl]phenol (CID 135844947) is 2-[C-methyl-N-(2-phenylselanylethyl)carbonimidoyl]phenol.
What is the SMILES notation for 2-[C-methyl-N-(2-phenylselanylethyl)carbonimidoyl]phenol?
The canonical SMILES for 2-[C-methyl-N-(2-phenylselanylethyl)carbonimidoyl]phenol is C/C(=N\CC[Se]c1ccccc1)c1ccccc1O.
What is the InChIKey of 2-[C-methyl-N-(2-phenylselanylethyl)carbonimidoyl]phenol?
The InChIKey is ANMSUAGENBIQHY-GHRIWEEISA-N. The full InChI is InChI=1S/C16H17NOSe/c1-13(15-9-5-6-10-16(15)18)17-11-12-19-14-7-3-2-4-8-14/h2-10,18H,11-12H2,1H3/b17-13+.
What are the key properties of 2-[C-methyl-N-(2-phenylselanylethyl)carbonimidoyl]phenol?
2-[C-methyl-N-(2-phenylselanylethyl)carbonimidoyl]phenol has a molecular weight of 318.28 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[C-methyl-N-(2-phenylselanylethyl)carbonimidoyl]phenol is sourced from PubChem (CID 135844947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).