2-[(5-methyloxolan-2-yl)methoxy]benzonitrile

C13H15NO2 — CID 103134244

IUPAC2-[(5-methyloxolan-2-yl)methoxy]benzonitrile
SMILESCC1CCC(COc2ccccc2C#N)O1
InChIInChI=1S/C13H15NO2/c1-10-6-7-12(16-10)9-15-13-5-3-2-4-11(13)8-14/h2-5,10,12H,6-7,9H2,1H3
InChIKeyVQTYNTUEWHLGSN-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.50
Rot. Bonds3

About 2-[(5-methyloxolan-2-yl)methoxy]benzonitrile

2-[(5-methyloxolan-2-yl)methoxy]benzonitrile (PubChem CID 103134244) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-[(5-methyloxolan-2-yl)methoxy]benzonitrile.

Molecular Properties

Compound Name2-[(5-methyloxolan-2-yl)methoxy]benzonitrile
PubChem CID103134244
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-[(5-methyloxolan-2-yl)methoxy]benzonitrile
SMILESCC1CCC(COc2ccccc2C#N)O1
InChIInChI=1S/C13H15NO2/c1-10-6-7-12(16-10)9-15-13-5-3-2-4-11(13)8-14/h2-5,10,12H,6-7,9H2,1H3
InChIKeyVQTYNTUEWHLGSN-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-[(2-methylphenoxy)methyl]oxolane
CID 103141002
2-[[(2R)-oxan-2-yl]methoxy]benzonitrile
CID 28602321
2-[(5-fluoro-2-methylphenoxy)methyl]-5-methyloxolane
CID 103141088
N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 103132821
2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]ethoxy]benzonitrile
CID 7393960
2-methyl-N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-2-amine
CID 103133101
1-[2-[(5-methyloxolan-2-yl)methoxy]phenyl]propan-1-one
CID 103134352
2-fluoro-4-[(5-methyloxolan-2-yl)methoxy]benzonitrile
CID 103143092
2-chloro-4-[(5-methyloxolan-2-yl)methoxy]benzonitrile
CID 103134259
N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]ethanamine
CID 103132816
2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzonitrile
CID 66365332
2-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propoxy]benzonitrile
CID 7379961

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyloxolan-2-yl)methoxy]benzonitrile?
The IUPAC name of 2-[(5-methyloxolan-2-yl)methoxy]benzonitrile (CID 103134244) is 2-[(5-methyloxolan-2-yl)methoxy]benzonitrile.
What is the SMILES notation for 2-[(5-methyloxolan-2-yl)methoxy]benzonitrile?
The canonical SMILES for 2-[(5-methyloxolan-2-yl)methoxy]benzonitrile is CC1CCC(COc2ccccc2C#N)O1.
What is the InChIKey of 2-[(5-methyloxolan-2-yl)methoxy]benzonitrile?
The InChIKey is VQTYNTUEWHLGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-10-6-7-12(16-10)9-15-13-5-3-2-4-11(13)8-14/h2-5,10,12H,6-7,9H2,1H3.
What are the key properties of 2-[(5-methyloxolan-2-yl)methoxy]benzonitrile?
2-[(5-methyloxolan-2-yl)methoxy]benzonitrile has a molecular weight of 217.27 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyloxolan-2-yl)methoxy]benzonitrile is sourced from PubChem (CID 103134244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).