1-(azetidin-1-yl)-1-phenoxyethanol

C11H15NO2 — CID 175949071

IUPAC1-(azetidin-1-yl)-1-phenoxyethanol
SMILESCC(O)(Oc1ccccc1)N1CCC1
InChIInChI=1S/C11H15NO2/c1-11(13,12-8-5-9-12)14-10-6-3-2-4-7-10/h2-4,6-7,13H,5,8-9H2,1H3
InChIKeyAPNFOHMWYDNWJD-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.44
Rot. Bonds3

About 1-(azetidin-1-yl)-1-phenoxyethanol

1-(azetidin-1-yl)-1-phenoxyethanol (PubChem CID 175949071) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-1-phenoxyethanol.

Molecular Properties

Compound Name1-(azetidin-1-yl)-1-phenoxyethanol
PubChem CID175949071
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-(azetidin-1-yl)-1-phenoxyethanol
SMILESCC(O)(Oc1ccccc1)N1CCC1
InChIInChI=1S/C11H15NO2/c1-11(13,12-8-5-9-12)14-10-6-3-2-4-7-10/h2-4,6-7,13H,5,8-9H2,1H3
InChIKeyAPNFOHMWYDNWJD-UHFFFAOYSA-N
XLogP1.44
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-1-phenoxyethanol?
The IUPAC name of 1-(azetidin-1-yl)-1-phenoxyethanol (CID 175949071) is 1-(azetidin-1-yl)-1-phenoxyethanol.
What is the SMILES notation for 1-(azetidin-1-yl)-1-phenoxyethanol?
The canonical SMILES for 1-(azetidin-1-yl)-1-phenoxyethanol is CC(O)(Oc1ccccc1)N1CCC1.
What is the InChIKey of 1-(azetidin-1-yl)-1-phenoxyethanol?
The InChIKey is APNFOHMWYDNWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-11(13,12-8-5-9-12)14-10-6-3-2-4-7-10/h2-4,6-7,13H,5,8-9H2,1H3.
What are the key properties of 1-(azetidin-1-yl)-1-phenoxyethanol?
1-(azetidin-1-yl)-1-phenoxyethanol has a molecular weight of 193.25 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-1-phenoxyethanol is sourced from PubChem (CID 175949071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).