2-[3-(oxetan-3-yloxy)phenyl]acetonitrile

C11H11NO2 — CID 84771028

IUPAC2-[3-(oxetan-3-yloxy)phenyl]acetonitrile
SMILESN#CCc1cccc(OC2COC2)c1
InChIInChI=1S/C11H11NO2/c12-5-4-9-2-1-3-10(6-9)14-11-7-13-8-11/h1-3,6,11H,4,7-8H2
InChIKeyPNNNDVKTZKSQHI-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.53
Rot. Bonds3

About 2-[3-(oxetan-3-yloxy)phenyl]acetonitrile

2-[3-(oxetan-3-yloxy)phenyl]acetonitrile (PubChem CID 84771028) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-[3-(oxetan-3-yloxy)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[3-(oxetan-3-yloxy)phenyl]acetonitrile
PubChem CID84771028
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name2-[3-(oxetan-3-yloxy)phenyl]acetonitrile
SMILESN#CCc1cccc(OC2COC2)c1
InChIInChI=1S/C11H11NO2/c12-5-4-9-2-1-3-10(6-9)14-11-7-13-8-11/h1-3,6,11H,4,7-8H2
InChIKeyPNNNDVKTZKSQHI-UHFFFAOYSA-N
XLogP1.53
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

O-[[3-(oxetan-3-yloxy)phenyl]methyl]hydroxylamine
CID 117285119
N-[[3-(oxetan-3-yloxy)phenyl]methyl]hydroxylamine
CID 83484577
2-[2-amino-5-(oxetan-3-yloxy)phenyl]acetonitrile
CID 102625001
3-(3-bromophenoxy)oxetane
CID 83487082
2-[3-(2-chloroethoxy)phenyl]acetonitrile
CID 171785763
2-[3-(difluoromethoxy)phenyl]acetonitrile
CID 2737017
2-[3-(trifluoromethoxy)phenyl]acetonitrile
CID 517906
3-(oxetan-3-yloxy)benzaldehyde
CID 83482101
1-[[3-(oxolan-3-yloxy)phenyl]methyl]cyclopropan-1-amine
CID 117338698
2-[3-[chloro(difluoro)methoxy]phenyl]acetonitrile
CID 121234814
3-[3-(oxolan-3-yloxy)phenyl]propan-1-ol
CID 117318293
3-[3-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115004698

Frequently Asked Questions

What is the IUPAC name of 2-[3-(oxetan-3-yloxy)phenyl]acetonitrile?
The IUPAC name of 2-[3-(oxetan-3-yloxy)phenyl]acetonitrile (CID 84771028) is 2-[3-(oxetan-3-yloxy)phenyl]acetonitrile.
What is the SMILES notation for 2-[3-(oxetan-3-yloxy)phenyl]acetonitrile?
The canonical SMILES for 2-[3-(oxetan-3-yloxy)phenyl]acetonitrile is N#CCc1cccc(OC2COC2)c1.
What is the InChIKey of 2-[3-(oxetan-3-yloxy)phenyl]acetonitrile?
The InChIKey is PNNNDVKTZKSQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c12-5-4-9-2-1-3-10(6-9)14-11-7-13-8-11/h1-3,6,11H,4,7-8H2.
What are the key properties of 2-[3-(oxetan-3-yloxy)phenyl]acetonitrile?
2-[3-(oxetan-3-yloxy)phenyl]acetonitrile has a molecular weight of 189.21 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(oxetan-3-yloxy)phenyl]acetonitrile is sourced from PubChem (CID 84771028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).