2-(4-methoxyphenyl)selanylbenzonitrile

C14H11NOSe — CID 132525672

IUPAC2-(4-methoxyphenyl)selanylbenzonitrile
SMILESCOc1ccc([Se]c2ccccc2C#N)cc1
InChIInChI=1S/C14H11NOSe/c1-16-12-6-8-13(9-7-12)17-14-5-3-2-4-11(14)10-15/h2-9H,1H3
InChIKeyWCXVORRJSZJVKJ-UHFFFAOYSA-N
MW288.21 g/mol
LogP1.22
Rot. Bonds3

About 2-(4-methoxyphenyl)selanylbenzonitrile

2-(4-methoxyphenyl)selanylbenzonitrile (PubChem CID 132525672) has the molecular formula C14H11NOSe and a molecular weight of 288.21 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)selanylbenzonitrile.

Molecular Properties

Compound Name2-(4-methoxyphenyl)selanylbenzonitrile
PubChem CID132525672
Molecular FormulaC14H11NOSe
Molecular Weight288.21 g/mol
Exact Mass289.00
IUPAC Name2-(4-methoxyphenyl)selanylbenzonitrile
SMILESCOc1ccc([Se]c2ccccc2C#N)cc1
InChIInChI=1S/C14H11NOSe/c1-16-12-6-8-13(9-7-12)17-14-5-3-2-4-11(14)10-15/h2-9H,1H3
InChIKeyWCXVORRJSZJVKJ-UHFFFAOYSA-N
XLogP1.22
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.21
LogP ≤ 51.22
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-chloro-2-(4-methoxyphenyl)selanylbenzene
CID 102522970
2-[2-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]ethynyl]benzonitrile
CID 71419198
2-[2-(4-methoxyphenyl)ethyl]benzonitrile
CID 70516707
bis(1-methoxy-4-[(4-methoxyphenyl)diselanyl]benzene);hydrate
CID 175536149
4-methoxy(13C)benzonitrile
CID 175991125
(Z)-3-(4-methoxyphenyl)selanyl-3-phenylprop-2-enenitrile
CID 10519304
anisole;cyanic acid
CID 174663500
1,2-dimethoxy-4,5-bis(phenylselanyl)benzene
CID 15257774
4-methoxy-2-naphthalen-2-yloxybenzonitrile
CID 81297139
2-cyano-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948091
2-amino-3-(4-methoxyanilino)benzonitrile
CID 104716194
4-methoxy-2-nitro-1-phenylselanylbenzene
CID 141490695

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)selanylbenzonitrile?
The IUPAC name of 2-(4-methoxyphenyl)selanylbenzonitrile (CID 132525672) is 2-(4-methoxyphenyl)selanylbenzonitrile.
What is the SMILES notation for 2-(4-methoxyphenyl)selanylbenzonitrile?
The canonical SMILES for 2-(4-methoxyphenyl)selanylbenzonitrile is COc1ccc([Se]c2ccccc2C#N)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)selanylbenzonitrile?
The InChIKey is WCXVORRJSZJVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOSe/c1-16-12-6-8-13(9-7-12)17-14-5-3-2-4-11(14)10-15/h2-9H,1H3.
What are the key properties of 2-(4-methoxyphenyl)selanylbenzonitrile?
2-(4-methoxyphenyl)selanylbenzonitrile has a molecular weight of 288.21 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)selanylbenzonitrile is sourced from PubChem (CID 132525672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).