1-benzhydryl-3-(oxolan-3-yloxy)azetidine

C20H23NO2 — CID 139563500

IUPAC1-benzhydryl-3-(oxolan-3-yloxy)azetidine
SMILESc1ccc(C(c2ccccc2)N2CC(OC3CCOC3)C2)cc1
InChIInChI=1S/C20H23NO2/c1-3-7-16(8-4-1)20(17-9-5-2-6-10-17)21-13-19(14-21)23-18-11-12-22-15-18/h1-10,18-20H,11-15H2
InChIKeyMVSKBQHFFVFCDF-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.27
Rot. Bonds5

About 1-benzhydryl-3-(oxolan-3-yloxy)azetidine

1-benzhydryl-3-(oxolan-3-yloxy)azetidine (PubChem CID 139563500) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-benzhydryl-3-(oxolan-3-yloxy)azetidine.

Molecular Properties

Compound Name1-benzhydryl-3-(oxolan-3-yloxy)azetidine
PubChem CID139563500
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name1-benzhydryl-3-(oxolan-3-yloxy)azetidine
SMILESc1ccc(C(c2ccccc2)N2CC(OC3CCOC3)C2)cc1
InChIInChI=1S/C20H23NO2/c1-3-7-16(8-4-1)20(17-9-5-2-6-10-17)21-13-19(14-21)23-18-11-12-22-15-18/h1-10,18-20H,11-15H2
InChIKeyMVSKBQHFFVFCDF-UHFFFAOYSA-N
XLogP3.27
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-(oxolan-3-yloxy)azetidine?
The IUPAC name of 1-benzhydryl-3-(oxolan-3-yloxy)azetidine (CID 139563500) is 1-benzhydryl-3-(oxolan-3-yloxy)azetidine.
What is the SMILES notation for 1-benzhydryl-3-(oxolan-3-yloxy)azetidine?
The canonical SMILES for 1-benzhydryl-3-(oxolan-3-yloxy)azetidine is c1ccc(C(c2ccccc2)N2CC(OC3CCOC3)C2)cc1.
What is the InChIKey of 1-benzhydryl-3-(oxolan-3-yloxy)azetidine?
The InChIKey is MVSKBQHFFVFCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-3-7-16(8-4-1)20(17-9-5-2-6-10-17)21-13-19(14-21)23-18-11-12-22-15-18/h1-10,18-20H,11-15H2.
What are the key properties of 1-benzhydryl-3-(oxolan-3-yloxy)azetidine?
1-benzhydryl-3-(oxolan-3-yloxy)azetidine has a molecular weight of 309.41 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-(oxolan-3-yloxy)azetidine is sourced from PubChem (CID 139563500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).