4-[(4-cyanophenoxy)methyl]benzonitrile

C15H10N2O — CID 7894350

IUPAC4-[(4-cyanophenoxy)methyl]benzonitrile
SMILESN#Cc1ccc(COc2ccc(C#N)cc2)cc1
InChIInChI=1S/C15H10N2O/c16-9-12-1-3-14(4-2-12)11-18-15-7-5-13(10-17)6-8-15/h1-8H,11H2
InChIKeyAIMBUXHYIWOBQM-UHFFFAOYSA-N
MW234.26 g/mol
LogP3.01
Rot. Bonds3

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

4-[(4-cyanophenoxy)methyl]benzonitrile (PubChem CID 7894350) has the molecular formula C15H10N2O and a molecular weight of 234.26 g/mol. Its IUPAC name is 4-[(4-cyanophenoxy)methyl]benzonitrile.

Molecular Properties

Compound Name4-[(4-cyanophenoxy)methyl]benzonitrile
PubChem CID7894350
Molecular FormulaC15H10N2O
Molecular Weight234.26 g/mol
Exact Mass234.08
IUPAC Name4-[(4-cyanophenoxy)methyl]benzonitrile
SMILESN#Cc1ccc(COc2ccc(C#N)cc2)cc1
InChIInChI=1S/C15H10N2O/c16-9-12-1-3-14(4-2-12)11-18-15-7-5-13(10-17)6-8-15/h1-8H,11H2
InChIKeyAIMBUXHYIWOBQM-UHFFFAOYSA-N
XLogP3.01
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 7919523
4-[4-[(4-fluorophenyl)methoxy]phenyl]benzonitrile
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4-[(3,5-dimethoxyphenoxy)methyl]benzonitrile
CID 7707174
4-[(4-cyanophenoxy)methyl]benzamide
CID 11831905
4-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)benzonitrile
CID 61398915
4-[[4-(1,3-dioxolan-2-yl)phenoxy]methyl]benzonitrile
CID 19989628
4-[(4-chloro-3-methylphenoxy)methyl]benzonitrile
CID 22688362
4-[(7-hydroxynaphthalen-2-yl)oxymethyl]benzonitrile
CID 43326483
4-[(3-methyl-4-propan-2-ylphenoxy)methyl]benzonitrile
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4-[[4-(4-aminobutylamino)phenoxy]methyl]benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyanophenoxy)methyl]benzonitrile?
The IUPAC name of 4-[(4-cyanophenoxy)methyl]benzonitrile (CID 7894350) is 4-[(4-cyanophenoxy)methyl]benzonitrile.
What is the SMILES notation for 4-[(4-cyanophenoxy)methyl]benzonitrile?
The canonical SMILES for 4-[(4-cyanophenoxy)methyl]benzonitrile is N#Cc1ccc(COc2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-[(4-cyanophenoxy)methyl]benzonitrile?
The InChIKey is AIMBUXHYIWOBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O/c16-9-12-1-3-14(4-2-12)11-18-15-7-5-13(10-17)6-8-15/h1-8H,11H2.
What are the key properties of 4-[(4-cyanophenoxy)methyl]benzonitrile?
4-[(4-cyanophenoxy)methyl]benzonitrile has a molecular weight of 234.26 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyanophenoxy)methyl]benzonitrile is sourced from PubChem (CID 7894350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).