4-(4-benzylphenoxy)benzonitrile

C20H15NO — CID 134587761

IUPAC4-(4-benzylphenoxy)benzonitrile
SMILESN#Cc1ccc(Oc2ccc(Cc3ccccc3)cc2)cc1
InChIInChI=1S/C20H15NO/c21-15-18-8-12-20(13-9-18)22-19-10-6-17(7-11-19)14-16-4-2-1-3-5-16/h1-13H,14H2
InChIKeyOJCZXWSGBWBVSM-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.94
Rot. Bonds4

About 4-(4-benzylphenoxy)benzonitrile

4-(4-benzylphenoxy)benzonitrile (PubChem CID 134587761) has the molecular formula C20H15NO and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-(4-benzylphenoxy)benzonitrile.

Molecular Properties

Compound Name4-(4-benzylphenoxy)benzonitrile
PubChem CID134587761
Molecular FormulaC20H15NO
Molecular Weight285.35 g/mol
Exact Mass285.12
IUPAC Name4-(4-benzylphenoxy)benzonitrile
SMILESN#Cc1ccc(Oc2ccc(Cc3ccccc3)cc2)cc1
InChIInChI=1S/C20H15NO/c21-15-18-8-12-20(13-9-18)22-19-10-6-17(7-11-19)14-16-4-2-1-3-5-16/h1-13H,14H2
InChIKeyOJCZXWSGBWBVSM-UHFFFAOYSA-N
XLogP4.94
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(4-benzylphenoxy)benzonitrile with MolForge

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

Launch Full Analysis

Related Compounds

ethane;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene
CID 143793194
4-(4-propylphenoxy)benzonitrile
CID 20986267
N-benzyl-4-cyano-N-[(4-phenoxyphenyl)methyl]benzenesulfonamide
CID 72736359
4-[(4-benzylpyridin-1-ium-1-yl)methyl]benzonitrile
CID 8860240
4-[[4-(4-cyanophenyl)phenyl]methyl]benzonitrile
CID 71089118
3-[4-(4-cyanophenoxy)phenyl]propanoic acid
CID 116996810
4-[(4,6-diphenoxy-1,3,5-triazin-2-yl)oxy]benzonitrile
CID 162501099
4-[(4-phenylphenoxy)methyl]benzonitrile
CID 7919523
4-(8-phenyloctyl)benzonitrile
CID 21257462
4-[(4-cyanophenoxy)methyl]benzonitrile
CID 7894350
4-[4-(methylamino)phenoxy]benzonitrile
CID 15622757
3-[(4-methoxyphenyl)methyl]benzonitrile
CID 126697146

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylphenoxy)benzonitrile?
The IUPAC name of 4-(4-benzylphenoxy)benzonitrile (CID 134587761) is 4-(4-benzylphenoxy)benzonitrile.
What is the SMILES notation for 4-(4-benzylphenoxy)benzonitrile?
The canonical SMILES for 4-(4-benzylphenoxy)benzonitrile is N#Cc1ccc(Oc2ccc(Cc3ccccc3)cc2)cc1.
What is the InChIKey of 4-(4-benzylphenoxy)benzonitrile?
The InChIKey is OJCZXWSGBWBVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO/c21-15-18-8-12-20(13-9-18)22-19-10-6-17(7-11-19)14-16-4-2-1-3-5-16/h1-13H,14H2.
What are the key properties of 4-(4-benzylphenoxy)benzonitrile?
4-(4-benzylphenoxy)benzonitrile has a molecular weight of 285.35 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylphenoxy)benzonitrile is sourced from PubChem (CID 134587761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).