2-(oxan-2-yloxy)-3-phenylpropanenitrile

C14H17NO2 — CID 14767297

IUPAC2-(oxan-2-yloxy)-3-phenylpropanenitrile
SMILESN#CC(Cc1ccccc1)OC1CCCCO1
InChIInChI=1S/C14H17NO2/c15-11-13(10-12-6-2-1-3-7-12)17-14-8-4-5-9-16-14/h1-3,6-7,13-14H,4-5,8-10H2
InChIKeyABSIIPPXNVNRIB-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.66
Rot. Bonds4

About 2-(oxan-2-yloxy)-3-phenylpropanenitrile

2-(oxan-2-yloxy)-3-phenylpropanenitrile (PubChem CID 14767297) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(oxan-2-yloxy)-3-phenylpropanenitrile.

Molecular Properties

Compound Name2-(oxan-2-yloxy)-3-phenylpropanenitrile
PubChem CID14767297
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name2-(oxan-2-yloxy)-3-phenylpropanenitrile
SMILESN#CC(Cc1ccccc1)OC1CCCCO1
InChIInChI=1S/C14H17NO2/c15-11-13(10-12-6-2-1-3-7-12)17-14-8-4-5-9-16-14/h1-3,6-7,13-14H,4-5,8-10H2
InChIKeyABSIIPPXNVNRIB-UHFFFAOYSA-N
XLogP2.66
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-(oxan-2-yloxy)-4-phenylbutanenitrile
CID 102467228
methyl (2S)-2-(oxan-2-yloxy)-3-phenylpropanoate
CID 14804719
(E)-2-(oxan-2-yloxy)-4-phenylbut-3-enenitrile
CID 11593933
bis(oxan-2-yl) 2-benzylpropanedioate
CID 14723470
oxan-2-yl (2R)-2-hydroxy-3-phenylpropanoate
CID 131720683
2-[2-hydroxy-5-[3-(oxan-2-yloxy)-4-phenylbut-1-enyl]cyclopentyl]acetaldehyde
CID 173446357
2-[(2S)-2-(oxan-2-yloxy)propoxy]benzonitrile
CID 175791848
(2R)-2-[(2-fluorophenyl)methyl]-3-(oxan-2-yloxy)propanenitrile
CID 151001628
cyclohexanamine;oxan-2-yl (2R)-2-hydroxy-3-phenylpropanoate
CID 172828135
(1R,2R)-2-(oxan-2-yloxy)-1,2-diphenylethanol
CID 71209539
2-[5-(oxiran-2-ylmethoxy)-1-phenylpent-1-yn-3-yl]oxyoxane
CID 101054180
(5S)-5-(oxan-2-yloxy)-6-phenylmethoxyhexan-1-ol
CID 10590934

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-yloxy)-3-phenylpropanenitrile?
The IUPAC name of 2-(oxan-2-yloxy)-3-phenylpropanenitrile (CID 14767297) is 2-(oxan-2-yloxy)-3-phenylpropanenitrile.
What is the SMILES notation for 2-(oxan-2-yloxy)-3-phenylpropanenitrile?
The canonical SMILES for 2-(oxan-2-yloxy)-3-phenylpropanenitrile is N#CC(Cc1ccccc1)OC1CCCCO1.
What is the InChIKey of 2-(oxan-2-yloxy)-3-phenylpropanenitrile?
The InChIKey is ABSIIPPXNVNRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c15-11-13(10-12-6-2-1-3-7-12)17-14-8-4-5-9-16-14/h1-3,6-7,13-14H,4-5,8-10H2.
What are the key properties of 2-(oxan-2-yloxy)-3-phenylpropanenitrile?
2-(oxan-2-yloxy)-3-phenylpropanenitrile has a molecular weight of 231.30 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-yloxy)-3-phenylpropanenitrile is sourced from PubChem (CID 14767297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).