2-[[(2R)-oxan-2-yl]methoxy]benzonitrile

C13H15NO2 — CID 28602321

IUPAC2-[[(2R)-oxan-2-yl]methoxy]benzonitrile
SMILESN#Cc1ccccc1OC[C@H]1CCCCO1
InChIInChI=1S/C13H15NO2/c14-9-11-5-1-2-7-13(11)16-10-12-6-3-4-8-15-12/h1-2,5,7,12H,3-4,6,8,10H2/t12-/m1/s1
InChIKeyBCBPEFHFELTDAK-GFCCVEGCSA-N
MW217.27 g/mol
LogP2.51
Rot. Bonds3

About 2-[[(2R)-oxan-2-yl]methoxy]benzonitrile

2-[[(2R)-oxan-2-yl]methoxy]benzonitrile (PubChem CID 28602321) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-[[(2R)-oxan-2-yl]methoxy]benzonitrile.

Molecular Properties

Compound Name2-[[(2R)-oxan-2-yl]methoxy]benzonitrile
PubChem CID28602321
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-[[(2R)-oxan-2-yl]methoxy]benzonitrile
SMILESN#Cc1ccccc1OC[C@H]1CCCCO1
InChIInChI=1S/C13H15NO2/c14-9-11-5-1-2-7-13(11)16-10-12-6-3-4-8-15-12/h1-2,5,7,12H,3-4,6,8,10H2/t12-/m1/s1
InChIKeyBCBPEFHFELTDAK-GFCCVEGCSA-N
XLogP2.51
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(oxolan-2-yl)ethoxy]benzonitrile
CID 65161585
4-[2-(oxan-2-ylmethoxy)phenyl]but-3-yn-1-ol
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2-(morpholin-2-ylmethoxy)benzonitrile
CID 64534469
2-[(5-methyloxolan-2-yl)methoxy]benzonitrile
CID 103134244
2-amino-3-(oxan-2-ylmethoxy)phenol
CID 114764427
2-[(2S)-2-(oxan-2-yloxy)propoxy]benzonitrile
CID 175791848
[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanol
CID 28562688
2-(oxolan-2-ylmethoxy)benzamide
CID 24633130
2-nitro-6-[[(2R)-oxolan-2-yl]methoxy]benzonitrile
CID 124561898
2-(oxolan-2-ylmethoxy)-5-(trifluoromethyl)benzonitrile
CID 43331128
N'-hydroxy-2-(oxan-2-ylmethoxy)benzenecarboximidamide
CID 43200025
potassium trifluoro-[2-(oxolan-2-ylmethoxy)phenyl]boranuide
CID 63676632

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-oxan-2-yl]methoxy]benzonitrile?
The IUPAC name of 2-[[(2R)-oxan-2-yl]methoxy]benzonitrile (CID 28602321) is 2-[[(2R)-oxan-2-yl]methoxy]benzonitrile.
What is the SMILES notation for 2-[[(2R)-oxan-2-yl]methoxy]benzonitrile?
The canonical SMILES for 2-[[(2R)-oxan-2-yl]methoxy]benzonitrile is N#Cc1ccccc1OC[C@H]1CCCCO1.
What is the InChIKey of 2-[[(2R)-oxan-2-yl]methoxy]benzonitrile?
The InChIKey is BCBPEFHFELTDAK-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H15NO2/c14-9-11-5-1-2-7-13(11)16-10-12-6-3-4-8-15-12/h1-2,5,7,12H,3-4,6,8,10H2/t12-/m1/s1.
What are the key properties of 2-[[(2R)-oxan-2-yl]methoxy]benzonitrile?
2-[[(2R)-oxan-2-yl]methoxy]benzonitrile has a molecular weight of 217.27 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-oxan-2-yl]methoxy]benzonitrile is sourced from PubChem (CID 28602321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).