(2-methoxyphenyl)methyl selenocyanate

C9H9NOSe — CID 10331260

IUPAC(2-methoxyphenyl)methyl selenocyanate
SMILESCOc1ccccc1C[Se]C#N
InChIInChI=1S/C9H9NOSe/c1-11-9-5-3-2-4-8(9)6-12-7-10/h2-5H,6H2,1H3
InChIKeyISKGOWGFBASPHO-UHFFFAOYSA-N
MW226.14 g/mol
LogP1.38
Rot. Bonds3

About (2-methoxyphenyl)methyl selenocyanate

(2-methoxyphenyl)methyl selenocyanate (PubChem CID 10331260) has the molecular formula C9H9NOSe and a molecular weight of 226.14 g/mol. Its IUPAC name is (2-methoxyphenyl)methyl selenocyanate.

Molecular Properties

Compound Name(2-methoxyphenyl)methyl selenocyanate
PubChem CID10331260
Molecular FormulaC9H9NOSe
Molecular Weight226.14 g/mol
Exact Mass226.98
IUPAC Name(2-methoxyphenyl)methyl selenocyanate
SMILESCOc1ccccc1C[Se]C#N
InChIInChI=1S/C9H9NOSe/c1-11-9-5-3-2-4-8(9)6-12-7-10/h2-5H,6H2,1H3
InChIKeyISKGOWGFBASPHO-UHFFFAOYSA-N
XLogP1.38
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.14
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1,4-dimethoxynaphthalen-2-yl)methyl selenocyanate
CID 51040592
1-bromo-2-[(2-methoxyphenyl)methyl]benzene
CID 165410095
2-(2-methoxyphenyl)acetyl cyanide
CID 89033062
azane;dichloroplatinum;2-(2-methoxyphenyl)acetonitrile
CID 87598174
(2-(111C)methoxyphenyl)methanol
CID 59897789
(Z)-4-(2-methoxyphenyl)-2-methylbut-2-enenitrile
CID 13468543
2-fluoro-2-hydroxy-3-(2-methoxyphenyl)propanenitrile
CID 174958896
2-[(2-methoxyphenyl)methyl]-2-methylbutanenitrile
CID 65376186
lithium (2-methoxyphenyl)methanolate
CID 139799103
ethane;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene
CID 91290457
acetylene;1-(2-bromoethyl)-2-methoxybenzene
CID 143927772
2-[(2-methoxyphenyl)methyl-methylamino]propanenitrile
CID 60646378

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)methyl selenocyanate?
The IUPAC name of (2-methoxyphenyl)methyl selenocyanate (CID 10331260) is (2-methoxyphenyl)methyl selenocyanate.
What is the SMILES notation for (2-methoxyphenyl)methyl selenocyanate?
The canonical SMILES for (2-methoxyphenyl)methyl selenocyanate is COc1ccccc1C[Se]C#N.
What is the InChIKey of (2-methoxyphenyl)methyl selenocyanate?
The InChIKey is ISKGOWGFBASPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NOSe/c1-11-9-5-3-2-4-8(9)6-12-7-10/h2-5H,6H2,1H3.
What are the key properties of (2-methoxyphenyl)methyl selenocyanate?
(2-methoxyphenyl)methyl selenocyanate has a molecular weight of 226.14 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)methyl selenocyanate is sourced from PubChem (CID 10331260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).