3-(phenylmethoxymethoxy)azetidine

C11H15NO2 — CID 106938173

IUPAC3-(phenylmethoxymethoxy)azetidine
SMILESc1ccc(COCOC2CNC2)cc1
InChIInChI=1S/C11H15NO2/c1-2-4-10(5-3-1)8-13-9-14-11-6-12-7-11/h1-5,11-12H,6-9H2
InChIKeyNIKHDOPEXWMLOV-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.15
Rot. Bonds5

About 3-(phenylmethoxymethoxy)azetidine

3-(phenylmethoxymethoxy)azetidine (PubChem CID 106938173) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-(phenylmethoxymethoxy)azetidine.

Molecular Properties

Compound Name3-(phenylmethoxymethoxy)azetidine
PubChem CID106938173
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-(phenylmethoxymethoxy)azetidine
SMILESc1ccc(COCOC2CNC2)cc1
InChIInChI=1S/C11H15NO2/c1-2-4-10(5-3-1)8-13-9-14-11-6-12-7-11/h1-5,11-12H,6-9H2
InChIKeyNIKHDOPEXWMLOV-UHFFFAOYSA-N
XLogP1.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-(phenylmethoxymethoxy)azetidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4,5-tris(phenylmethoxy)piperidine
CID 14642637
(2S,6S)-2,6-bis(phenylmethoxymethyl)morpholine
CID 176754636
3-(16-phenylmethoxyhexadecoxy)piperidine
CID 177224611
5-methyl-3-phenylmethoxyazepane
CID 123477831
(2R)-2-(phenylmethoxymethyl)aziridine
CID 101263543
4-(3-phenylmethoxypropoxy)piperidine
CID 171491541
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
3-[(4-fluorophenyl)methoxy]azetidine;hydrochloride
CID 75485348
3-[(4-bromophenyl)methoxy]azetidine
CID 53409423
1-benzhydryl-3-phenylmethoxyazetidine;iodomethane;3-phenylmethoxyazetidine
CID 161361282
CID 66734377
CID 66734377
5-methylidene-3-phenylmethoxyazepane
CID 144890570

Frequently Asked Questions

What is the IUPAC name of 3-(phenylmethoxymethoxy)azetidine?
The IUPAC name of 3-(phenylmethoxymethoxy)azetidine (CID 106938173) is 3-(phenylmethoxymethoxy)azetidine.
What is the SMILES notation for 3-(phenylmethoxymethoxy)azetidine?
The canonical SMILES for 3-(phenylmethoxymethoxy)azetidine is c1ccc(COCOC2CNC2)cc1.
What is the InChIKey of 3-(phenylmethoxymethoxy)azetidine?
The InChIKey is NIKHDOPEXWMLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-4-10(5-3-1)8-13-9-14-11-6-12-7-11/h1-5,11-12H,6-9H2.
What are the key properties of 3-(phenylmethoxymethoxy)azetidine?
3-(phenylmethoxymethoxy)azetidine has a molecular weight of 193.25 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenylmethoxymethoxy)azetidine is sourced from PubChem (CID 106938173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).