3-(1-benzofuran-3-yl)azetidin-3-ol

C11H11NO2 — CID 142712047

IUPAC3-(1-benzofuran-3-yl)azetidin-3-ol
SMILESOC1(c2coc3ccccc23)CNC1
InChIInChI=1S/C11H11NO2/c13-11(6-12-7-11)9-5-14-10-4-2-1-3-8(9)10/h1-5,12-13H,6-7H2
InChIKeyQHHCATHIQDFVMP-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.22
Rot. Bonds1

About 3-(1-benzofuran-3-yl)azetidin-3-ol

3-(1-benzofuran-3-yl)azetidin-3-ol (PubChem CID 142712047) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 3-(1-benzofuran-3-yl)azetidin-3-ol.

Molecular Properties

Compound Name3-(1-benzofuran-3-yl)azetidin-3-ol
PubChem CID142712047
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name3-(1-benzofuran-3-yl)azetidin-3-ol
SMILESOC1(c2coc3ccccc23)CNC1
InChIInChI=1S/C11H11NO2/c13-11(6-12-7-11)9-5-14-10-4-2-1-3-8(9)10/h1-5,12-13H,6-7H2
InChIKeyQHHCATHIQDFVMP-UHFFFAOYSA-N
XLogP1.22
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-3-yl)azetidin-3-ol?
The IUPAC name of 3-(1-benzofuran-3-yl)azetidin-3-ol (CID 142712047) is 3-(1-benzofuran-3-yl)azetidin-3-ol.
What is the SMILES notation for 3-(1-benzofuran-3-yl)azetidin-3-ol?
The canonical SMILES for 3-(1-benzofuran-3-yl)azetidin-3-ol is OC1(c2coc3ccccc23)CNC1.
What is the InChIKey of 3-(1-benzofuran-3-yl)azetidin-3-ol?
The InChIKey is QHHCATHIQDFVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c13-11(6-12-7-11)9-5-14-10-4-2-1-3-8(9)10/h1-5,12-13H,6-7H2.
What are the key properties of 3-(1-benzofuran-3-yl)azetidin-3-ol?
3-(1-benzofuran-3-yl)azetidin-3-ol has a molecular weight of 189.21 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-3-yl)azetidin-3-ol is sourced from PubChem (CID 142712047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).