1-(azetidin-3-yloxy)-2-phenylpropan-2-ol

C12H17NO2 — CID 106939887

IUPAC1-(azetidin-3-yloxy)-2-phenylpropan-2-ol
SMILESCC(O)(COC1CNC1)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-12(14,9-15-11-7-13-8-11)10-5-3-2-4-6-10/h2-6,11,13-14H,7-9H2,1H3
InChIKeyYKZWONHIXUVDNI-UHFFFAOYSA-N
MW207.27 g/mol
LogP0.88
Rot. Bonds4

About 1-(azetidin-3-yloxy)-2-phenylpropan-2-ol

1-(azetidin-3-yloxy)-2-phenylpropan-2-ol (PubChem CID 106939887) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-(azetidin-3-yloxy)-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(azetidin-3-yloxy)-2-phenylpropan-2-ol
PubChem CID106939887
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-(azetidin-3-yloxy)-2-phenylpropan-2-ol
SMILESCC(O)(COC1CNC1)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-12(14,9-15-11-7-13-8-11)10-5-3-2-4-6-10/h2-6,11,13-14H,7-9H2,1H3
InChIKeyYKZWONHIXUVDNI-UHFFFAOYSA-N
XLogP0.88
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methylpropan-2-yl)oxy]-2-phenylpropan-2-ol
CID 13140414
1-[2-(methylamino)cyclohexyl]oxy-2-phenylpropan-2-ol
CID 106941019
(2S,4R)-2,4-diphenylpentane-2,4-diol
CID 139037078
1-amino-2-phenylpropan-2-ol;hydrochloride
CID 17039439
[(3R)-pyrrolidin-3-yl] 2-hydroxy-2,2-diphenylacetate
CID 10613945
1-(4-methoxyphenoxy)-2-phenylpropan-2-ol
CID 62373674
3-(phenylmethoxymethoxy)azetidine
CID 106938173
6-phenylheptane-1,6-diol
CID 11310303
2-phenyl-1-(1-phenylpropan-2-yloxy)propan-2-ol
CID 67382362
1-(2,2,2-triphenylethoxy)ethane-1,1-diol
CID 54503444
1-phenyl-1-piperidin-4-ylethanol
CID 54545036
1-(oxiran-2-yl)-2-phenylpropan-2-ol
CID 11644018

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yloxy)-2-phenylpropan-2-ol?
The IUPAC name of 1-(azetidin-3-yloxy)-2-phenylpropan-2-ol (CID 106939887) is 1-(azetidin-3-yloxy)-2-phenylpropan-2-ol.
What is the SMILES notation for 1-(azetidin-3-yloxy)-2-phenylpropan-2-ol?
The canonical SMILES for 1-(azetidin-3-yloxy)-2-phenylpropan-2-ol is CC(O)(COC1CNC1)c1ccccc1.
What is the InChIKey of 1-(azetidin-3-yloxy)-2-phenylpropan-2-ol?
The InChIKey is YKZWONHIXUVDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-12(14,9-15-11-7-13-8-11)10-5-3-2-4-6-10/h2-6,11,13-14H,7-9H2,1H3.
What are the key properties of 1-(azetidin-3-yloxy)-2-phenylpropan-2-ol?
1-(azetidin-3-yloxy)-2-phenylpropan-2-ol has a molecular weight of 207.27 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yloxy)-2-phenylpropan-2-ol is sourced from PubChem (CID 106939887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).