4-[1-(4-phenylmethoxyphenyl)ethoxy]benzonitrile

C22H19NO2 — CID 19918506

IUPAC4-[1-(4-phenylmethoxyphenyl)ethoxy]benzonitrile
SMILESCC(Oc1ccc(C#N)cc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H19NO2/c1-17(25-22-11-7-18(15-23)8-12-22)20-9-13-21(14-10-20)24-16-19-5-3-2-4-6-19/h2-14,17H,16H2,1H3
InChIKeyGDZMTSNPXYTICV-UHFFFAOYSA-N
MW329.40 g/mol
LogP5.28
Rot. Bonds6

About 4-[1-(4-phenylmethoxyphenyl)ethoxy]benzonitrile

4-[1-(4-phenylmethoxyphenyl)ethoxy]benzonitrile (PubChem CID 19918506) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-[1-(4-phenylmethoxyphenyl)ethoxy]benzonitrile.

Molecular Properties

Compound Name4-[1-(4-phenylmethoxyphenyl)ethoxy]benzonitrile
PubChem CID19918506
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name4-[1-(4-phenylmethoxyphenyl)ethoxy]benzonitrile
SMILESCC(Oc1ccc(C#N)cc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H19NO2/c1-17(25-22-11-7-18(15-23)8-12-22)20-9-13-21(14-10-20)24-16-19-5-3-2-4-6-19/h2-14,17H,16H2,1H3
InChIKeyGDZMTSNPXYTICV-UHFFFAOYSA-N
XLogP5.28
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.40
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(4-methoxyphenyl)ethoxy]benzonitrile
CID 117052702
(2R)-2-(4-cyanophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 2541572
N-[1-(4-cyanophenyl)ethyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 55582792
ethane;4-[[3-(phenoxymethyl)phenyl]methoxy]benzonitrile
CID 91060810
4-[(4-cyanophenoxy)methyl]benzonitrile
CID 7894350
4-[(4-phenylphenoxy)methyl]benzonitrile
CID 7919523
4-(4-phenylmethoxyphenyl)pentanenitrile
CID 83932950
1-(4-phenylmethoxyphenyl)ethanethiol
CID 43124131
2-hydroxy-2-(4-phenylmethoxyphenyl)acetonitrile
CID 15557528
2-[[(1R)-2-phenylmethoxy-1-(4-phenylmethoxyphenyl)ethyl]amino]acetonitrile
CID 88683365
3-[4-(N-methyl-4-phenylmethoxyanilino)phenyl]butanenitrile
CID 118954426
1-(2-phenoxypropyl)-4-phenylmethoxybenzene
CID 150936303

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-phenylmethoxyphenyl)ethoxy]benzonitrile?
The IUPAC name of 4-[1-(4-phenylmethoxyphenyl)ethoxy]benzonitrile (CID 19918506) is 4-[1-(4-phenylmethoxyphenyl)ethoxy]benzonitrile.
What is the SMILES notation for 4-[1-(4-phenylmethoxyphenyl)ethoxy]benzonitrile?
The canonical SMILES for 4-[1-(4-phenylmethoxyphenyl)ethoxy]benzonitrile is CC(Oc1ccc(C#N)cc1)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 4-[1-(4-phenylmethoxyphenyl)ethoxy]benzonitrile?
The InChIKey is GDZMTSNPXYTICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2/c1-17(25-22-11-7-18(15-23)8-12-22)20-9-13-21(14-10-20)24-16-19-5-3-2-4-6-19/h2-14,17H,16H2,1H3.
What are the key properties of 4-[1-(4-phenylmethoxyphenyl)ethoxy]benzonitrile?
4-[1-(4-phenylmethoxyphenyl)ethoxy]benzonitrile has a molecular weight of 329.40 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-phenylmethoxyphenyl)ethoxy]benzonitrile is sourced from PubChem (CID 19918506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).