4-[(4-phenylphenoxy)methyl]benzonitrile

C20H15NO — CID 7919523

IUPAC4-[(4-phenylphenoxy)methyl]benzonitrile
SMILESN#Cc1ccc(COc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C20H15NO/c21-14-16-6-8-17(9-7-16)15-22-20-12-10-19(11-13-20)18-4-2-1-3-5-18/h1-13H,15H2
InChIKeyPZMAAUVBBMCEPT-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.80
Rot. Bonds4

About 4-[(4-phenylphenoxy)methyl]benzonitrile

4-[(4-phenylphenoxy)methyl]benzonitrile (PubChem CID 7919523) has the molecular formula C20H15NO and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-[(4-phenylphenoxy)methyl]benzonitrile.

Molecular Properties

Compound Name4-[(4-phenylphenoxy)methyl]benzonitrile
PubChem CID7919523
Molecular FormulaC20H15NO
Molecular Weight285.35 g/mol
Exact Mass285.12
IUPAC Name4-[(4-phenylphenoxy)methyl]benzonitrile
SMILESN#Cc1ccc(COc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C20H15NO/c21-14-16-6-8-17(9-7-16)15-22-20-12-10-19(11-13-20)18-4-2-1-3-5-18/h1-13H,15H2
InChIKeyPZMAAUVBBMCEPT-UHFFFAOYSA-N
XLogP4.80
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 ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-cyanophenoxy)methyl]benzonitrile
CID 7894350
4-[4-[(4-fluorophenyl)methoxy]phenyl]benzonitrile
CID 7670853
4-[[4-(4-cyanophenyl)phenoxy]methyl]-N-phenylbenzamide
CID 7670252
4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 102136380
4-[(4-iodophenoxy)methyl]benzonitrile
CID 7694615
4-[[4-(bromomethyl)phenoxy]methyl]benzonitrile
CID 43141537
4-(2-amino-4-phenylmethoxyphenyl)benzonitrile
CID 172674866
ethane;4-[[3-(phenoxymethyl)phenyl]methoxy]benzonitrile
CID 91060810
4-[[3-(bromomethyl)-5-phenylmethoxyphenoxy]methyl]benzonitrile
CID 19995075
4-[[4-(1,3-benzothiazol-2-yl)phenoxy]methyl]benzonitrile
CID 126196057
4-[4-[(2-bromophenyl)methoxy]phenyl]benzonitrile
CID 7670973
4-[1-(4-phenylmethoxyphenyl)ethoxy]benzonitrile
CID 19918506

Frequently Asked Questions

What is the IUPAC name of 4-[(4-phenylphenoxy)methyl]benzonitrile?
The IUPAC name of 4-[(4-phenylphenoxy)methyl]benzonitrile (CID 7919523) is 4-[(4-phenylphenoxy)methyl]benzonitrile.
What is the SMILES notation for 4-[(4-phenylphenoxy)methyl]benzonitrile?
The canonical SMILES for 4-[(4-phenylphenoxy)methyl]benzonitrile is N#Cc1ccc(COc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[(4-phenylphenoxy)methyl]benzonitrile?
The InChIKey is PZMAAUVBBMCEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO/c21-14-16-6-8-17(9-7-16)15-22-20-12-10-19(11-13-20)18-4-2-1-3-5-18/h1-13H,15H2.
What are the key properties of 4-[(4-phenylphenoxy)methyl]benzonitrile?
4-[(4-phenylphenoxy)methyl]benzonitrile has a molecular weight of 285.35 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-phenylphenoxy)methyl]benzonitrile is sourced from PubChem (CID 7919523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).