3-[(3-phenylphenyl)methoxy]azetidine-1-carbonitrile

C17H16N2O — CID 118524774

IUPAC3-[(3-phenylphenyl)methoxy]azetidine-1-carbonitrile
SMILESN#CN1CC(OCc2cccc(-c3ccccc3)c2)C1
InChIInChI=1S/C17H16N2O/c18-13-19-10-17(11-19)20-12-14-5-4-8-16(9-14)15-6-2-1-3-7-15/h1-9,17H,10-12H2
InChIKeyDYBBCIBQENERGI-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.04
Rot. Bonds4

About 3-[(3-phenylphenyl)methoxy]azetidine-1-carbonitrile

3-[(3-phenylphenyl)methoxy]azetidine-1-carbonitrile (PubChem CID 118524774) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-[(3-phenylphenyl)methoxy]azetidine-1-carbonitrile.

Molecular Properties

Compound Name3-[(3-phenylphenyl)methoxy]azetidine-1-carbonitrile
PubChem CID118524774
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name3-[(3-phenylphenyl)methoxy]azetidine-1-carbonitrile
SMILESN#CN1CC(OCc2cccc(-c3ccccc3)c2)C1
InChIInChI=1S/C17H16N2O/c18-13-19-10-17(11-19)20-12-14-5-4-8-16(9-14)15-6-2-1-3-7-15/h1-9,17H,10-12H2
InChIKeyDYBBCIBQENERGI-UHFFFAOYSA-N
XLogP3.04
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

5-[3-(cyclohexyloxymethyl)phenyl]-2H-triazole-4-carbonitrile
CID 122477362
3-[(4-phenylphenyl)methoxy]cyclobutane-1-carbonitrile
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(2S,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[(3-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol
CID 118720306
5-[3-(cyclopentyloxymethyl)phenyl]-1H-imidazole-4-carbonitrile
CID 144776060
3-phenylmethoxyazetidine-1-sulfonyl fluoride
CID 134969133
2-(3-phenylmethoxycyclobutylidene)acetonitrile
CID 66824115
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 12882576
(5S)-3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 122657901
1-(3-methylbutyl)-3-phenylbenzene
CID 21063782
1,4-bis(3-benzylphenyl)benzene
CID 175442136
azane;cyclopentyloxymethylbenzene
CID 69411306

Frequently Asked Questions

What is the IUPAC name of 3-[(3-phenylphenyl)methoxy]azetidine-1-carbonitrile?
The IUPAC name of 3-[(3-phenylphenyl)methoxy]azetidine-1-carbonitrile (CID 118524774) is 3-[(3-phenylphenyl)methoxy]azetidine-1-carbonitrile.
What is the SMILES notation for 3-[(3-phenylphenyl)methoxy]azetidine-1-carbonitrile?
The canonical SMILES for 3-[(3-phenylphenyl)methoxy]azetidine-1-carbonitrile is N#CN1CC(OCc2cccc(-c3ccccc3)c2)C1.
What is the InChIKey of 3-[(3-phenylphenyl)methoxy]azetidine-1-carbonitrile?
The InChIKey is DYBBCIBQENERGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c18-13-19-10-17(11-19)20-12-14-5-4-8-16(9-14)15-6-2-1-3-7-15/h1-9,17H,10-12H2.
What are the key properties of 3-[(3-phenylphenyl)methoxy]azetidine-1-carbonitrile?
3-[(3-phenylphenyl)methoxy]azetidine-1-carbonitrile has a molecular weight of 264.33 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-phenylphenyl)methoxy]azetidine-1-carbonitrile is sourced from PubChem (CID 118524774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).