3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanenitrile

C22H19NO2 — CID 23082906

IUPAC3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanenitrile
SMILESN#CCCc1ccc(OCc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C22H19NO2/c23-15-5-7-18-11-13-20(14-12-18)24-17-19-6-4-10-22(16-19)25-21-8-2-1-3-9-21/h1-4,6,8-14,16H,5,7,17H2
InChIKeyFPAYNBBUOOZIMY-UHFFFAOYSA-N
MW329.40 g/mol
LogP5.51
Rot. Bonds7

About 3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanenitrile

3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanenitrile (PubChem CID 23082906) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanenitrile.

Molecular Properties

Compound Name3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanenitrile
PubChem CID23082906
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanenitrile
SMILESN#CCCc1ccc(OCc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C22H19NO2/c23-15-5-7-18-11-13-20(14-12-18)24-17-19-6-4-10-22(16-19)25-21-8-2-1-3-9-21/h1-4,6,8-14,16H,5,7,17H2
InChIKeyFPAYNBBUOOZIMY-UHFFFAOYSA-N
XLogP5.51
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.40
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dideuterio-3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanoic acid
CID 163471018
N'-hydroxy-3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanimidamide
CID 87286412
4-[2-[4-[(3-phenoxyphenyl)methoxy]phenyl]ethyl]-3H-1,2,3,5-oxathiadiazole
CID 90811725
ethane;4-[[3-(phenoxymethyl)phenyl]methoxy]benzonitrile
CID 91060810
1-bromo-3-(4-phenylmethoxyphenoxy)benzene
CID 44818238
3-[(3-phenoxyphenyl)methylamino]propanenitrile
CID 28728151
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
[4-(4-phenylmethoxyphenoxy)phenyl]methanamine
CID 139985270
1-phenoxy-3-(3-phenylpropyl)benzene
CID 173282204
4-(3-phenylmethoxyphenoxy)aniline
CID 89036367
3-[4-[7-[4-(2-cyanoethyl)phenoxy]heptoxy]phenyl]propanenitrile
CID 67069748
1-(dichloromethyl)-3-(4-phenylmethoxyphenoxy)benzene
CID 12765877

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanenitrile?
The IUPAC name of 3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanenitrile (CID 23082906) is 3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanenitrile.
What is the SMILES notation for 3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanenitrile?
The canonical SMILES for 3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanenitrile is N#CCCc1ccc(OCc2cccc(Oc3ccccc3)c2)cc1.
What is the InChIKey of 3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanenitrile?
The InChIKey is FPAYNBBUOOZIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2/c23-15-5-7-18-11-13-20(14-12-18)24-17-19-6-4-10-22(16-19)25-21-8-2-1-3-9-21/h1-4,6,8-14,16H,5,7,17H2.
What are the key properties of 3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanenitrile?
3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanenitrile has a molecular weight of 329.40 g/mol, XLogP of 5.51, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanenitrile is sourced from PubChem (CID 23082906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).