2-(azetidin-2-yl)phenol

C9H11NO — CID 55282316

IUPAC2-(azetidin-2-yl)phenol
SMILESOc1ccccc1C1CCN1
InChIInChI=1S/C9H11NO/c11-9-4-2-1-3-7(9)8-5-6-10-8/h1-4,8,10-11H,5-6H2
InChIKeyJWJXBYRERUVKHY-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.43
Rot. Bonds1

About 2-(azetidin-2-yl)phenol

2-(azetidin-2-yl)phenol (PubChem CID 55282316) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 2-(azetidin-2-yl)phenol.

Molecular Properties

Compound Name2-(azetidin-2-yl)phenol
PubChem CID55282316
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name2-(azetidin-2-yl)phenol
SMILESOc1ccccc1C1CCN1
InChIInChI=1S/C9H11NO/c11-9-4-2-1-3-7(9)8-5-6-10-8/h1-4,8,10-11H,5-6H2
InChIKeyJWJXBYRERUVKHY-UHFFFAOYSA-N
XLogP1.43
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-2-yl)phenol?
The IUPAC name of 2-(azetidin-2-yl)phenol (CID 55282316) is 2-(azetidin-2-yl)phenol.
What is the SMILES notation for 2-(azetidin-2-yl)phenol?
The canonical SMILES for 2-(azetidin-2-yl)phenol is Oc1ccccc1C1CCN1.
What is the InChIKey of 2-(azetidin-2-yl)phenol?
The InChIKey is JWJXBYRERUVKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c11-9-4-2-1-3-7(9)8-5-6-10-8/h1-4,8,10-11H,5-6H2.
What are the key properties of 2-(azetidin-2-yl)phenol?
2-(azetidin-2-yl)phenol has a molecular weight of 149.19 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-2-yl)phenol is sourced from PubChem (CID 55282316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).