1-(1-phenylethyl)azetidin-3-ol

C11H15NO — CID 3792488

IUPAC1-(1-phenylethyl)azetidin-3-ol
SMILESCC(c1ccccc1)N1CC(O)C1
InChIInChI=1S/C11H15NO/c1-9(12-7-11(13)8-12)10-5-3-2-4-6-10/h2-6,9,11,13H,7-8H2,1H3
InChIKeyDILWWMFEHWWBCX-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.42
Rot. Bonds2

About 1-(1-phenylethyl)azetidin-3-ol

1-(1-phenylethyl)azetidin-3-ol (PubChem CID 3792488) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-(1-phenylethyl)azetidin-3-ol.

Molecular Properties

Compound Name1-(1-phenylethyl)azetidin-3-ol
PubChem CID3792488
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1-(1-phenylethyl)azetidin-3-ol
SMILESCC(c1ccccc1)N1CC(O)C1
InChIInChI=1S/C11H15NO/c1-9(12-7-11(13)8-12)10-5-3-2-4-6-10/h2-6,9,11,13H,7-8H2,1H3
InChIKeyDILWWMFEHWWBCX-UHFFFAOYSA-N
XLogP1.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylethyl)azetidin-3-ol?
The IUPAC name of 1-(1-phenylethyl)azetidin-3-ol (CID 3792488) is 1-(1-phenylethyl)azetidin-3-ol.
What is the SMILES notation for 1-(1-phenylethyl)azetidin-3-ol?
The canonical SMILES for 1-(1-phenylethyl)azetidin-3-ol is CC(c1ccccc1)N1CC(O)C1.
What is the InChIKey of 1-(1-phenylethyl)azetidin-3-ol?
The InChIKey is DILWWMFEHWWBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-9(12-7-11(13)8-12)10-5-3-2-4-6-10/h2-6,9,11,13H,7-8H2,1H3.
What are the key properties of 1-(1-phenylethyl)azetidin-3-ol?
1-(1-phenylethyl)azetidin-3-ol has a molecular weight of 177.25 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylethyl)azetidin-3-ol is sourced from PubChem (CID 3792488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).