2,4-bis(phenylmethoxy)benzonitrile

C21H17NO2 — CID 10313604

IUPAC2,4-bis(phenylmethoxy)benzonitrile
SMILESN#Cc1ccc(OCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C21H17NO2/c22-14-19-11-12-20(23-15-17-7-3-1-4-8-17)13-21(19)24-16-18-9-5-2-6-10-18/h1-13H,15-16H2
InChIKeyYNRZTBWNLPFPOL-UHFFFAOYSA-N
MW315.37 g/mol
LogP4.72
Rot. Bonds6

About 2,4-bis(phenylmethoxy)benzonitrile

2,4-bis(phenylmethoxy)benzonitrile (PubChem CID 10313604) has the molecular formula C21H17NO2 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2,4-bis(phenylmethoxy)benzonitrile.

Molecular Properties

Compound Name2,4-bis(phenylmethoxy)benzonitrile
PubChem CID10313604
Molecular FormulaC21H17NO2
Molecular Weight315.37 g/mol
Exact Mass315.13
IUPAC Name2,4-bis(phenylmethoxy)benzonitrile
SMILESN#Cc1ccc(OCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C21H17NO2/c22-14-19-11-12-20(23-15-17-7-3-1-4-8-17)13-21(19)24-16-18-9-5-2-6-10-18/h1-13H,15-16H2
InChIKeyYNRZTBWNLPFPOL-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

Analyze 2,4-bis(phenylmethoxy)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(phenylmethoxy)benzonitrile?
The IUPAC name of 2,4-bis(phenylmethoxy)benzonitrile (CID 10313604) is 2,4-bis(phenylmethoxy)benzonitrile.
What is the SMILES notation for 2,4-bis(phenylmethoxy)benzonitrile?
The canonical SMILES for 2,4-bis(phenylmethoxy)benzonitrile is N#Cc1ccc(OCc2ccccc2)cc1OCc1ccccc1.
What is the InChIKey of 2,4-bis(phenylmethoxy)benzonitrile?
The InChIKey is YNRZTBWNLPFPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2/c22-14-19-11-12-20(23-15-17-7-3-1-4-8-17)13-21(19)24-16-18-9-5-2-6-10-18/h1-13H,15-16H2.
What are the key properties of 2,4-bis(phenylmethoxy)benzonitrile?
2,4-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 2,4-bis(phenylmethoxy)benzonitrile is sourced from PubChem (CID 10313604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).