2,6-bis(phenylmethoxy)benzonitrile

C21H17NO2 — CID 3023483

IUPAC2,6-bis(phenylmethoxy)benzonitrile
SMILESN#Cc1c(OCc2ccccc2)cccc1OCc1ccccc1
InChIInChI=1S/C21H17NO2/c22-14-19-20(23-15-17-8-3-1-4-9-17)12-7-13-21(19)24-16-18-10-5-2-6-11-18/h1-13H,15-16H2
InChIKeyVMVKBYOKFOFDOD-UHFFFAOYSA-N
MW315.37 g/mol
LogP4.72
Rot. Bonds6

About 2,6-bis(phenylmethoxy)benzonitrile

2,6-bis(phenylmethoxy)benzonitrile (PubChem CID 3023483) has the molecular formula C21H17NO2 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2,6-bis(phenylmethoxy)benzonitrile.

Molecular Properties

Compound Name2,6-bis(phenylmethoxy)benzonitrile
PubChem CID3023483
Molecular FormulaC21H17NO2
Molecular Weight315.37 g/mol
Exact Mass315.13
IUPAC Name2,6-bis(phenylmethoxy)benzonitrile
SMILESN#Cc1c(OCc2ccccc2)cccc1OCc1ccccc1
InChIInChI=1S/C21H17NO2/c22-14-19-20(23-15-17-8-3-1-4-9-17)12-7-13-21(19)24-16-18-10-5-2-6-11-18/h1-13H,15-16H2
InChIKeyVMVKBYOKFOFDOD-UHFFFAOYSA-N
XLogP4.72
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(phenylmethoxy)benzonitrile?
The IUPAC name of 2,6-bis(phenylmethoxy)benzonitrile (CID 3023483) is 2,6-bis(phenylmethoxy)benzonitrile.
What is the SMILES notation for 2,6-bis(phenylmethoxy)benzonitrile?
The canonical SMILES for 2,6-bis(phenylmethoxy)benzonitrile is N#Cc1c(OCc2ccccc2)cccc1OCc1ccccc1.
What is the InChIKey of 2,6-bis(phenylmethoxy)benzonitrile?
The InChIKey is VMVKBYOKFOFDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2/c22-14-19-20(23-15-17-8-3-1-4-9-17)12-7-13-21(19)24-16-18-10-5-2-6-11-18/h1-13H,15-16H2.
What are the key properties of 2,6-bis(phenylmethoxy)benzonitrile?
2,6-bis(phenylmethoxy)benzonitrile has a molecular weight of 315.37 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(phenylmethoxy)benzonitrile is sourced from PubChem (CID 3023483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).