3-(4-methoxyphenyl)azetidin-3-ol

C10H13NO2 — CID 46907353

IUPAC3-(4-methoxyphenyl)azetidin-3-ol
SMILESCOc1ccc(C2(O)CNC2)cc1
InChIInChI=1S/C10H13NO2/c1-13-9-4-2-8(3-5-9)10(12)6-11-7-10/h2-5,11-12H,6-7H2,1H3
InChIKeyZDFQMXLENOVNIT-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.49
Rot. Bonds2

About 3-(4-methoxyphenyl)azetidin-3-ol

3-(4-methoxyphenyl)azetidin-3-ol (PubChem CID 46907353) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)azetidin-3-ol.

Molecular Properties

Compound Name3-(4-methoxyphenyl)azetidin-3-ol
PubChem CID46907353
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name3-(4-methoxyphenyl)azetidin-3-ol
SMILESCOc1ccc(C2(O)CNC2)cc1
InChIInChI=1S/C10H13NO2/c1-13-9-4-2-8(3-5-9)10(12)6-11-7-10/h2-5,11-12H,6-7H2,1H3
InChIKeyZDFQMXLENOVNIT-UHFFFAOYSA-N
XLogP0.49
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)azetidin-3-ol?
The IUPAC name of 3-(4-methoxyphenyl)azetidin-3-ol (CID 46907353) is 3-(4-methoxyphenyl)azetidin-3-ol.
What is the SMILES notation for 3-(4-methoxyphenyl)azetidin-3-ol?
The canonical SMILES for 3-(4-methoxyphenyl)azetidin-3-ol is COc1ccc(C2(O)CNC2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)azetidin-3-ol?
The InChIKey is ZDFQMXLENOVNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-13-9-4-2-8(3-5-9)10(12)6-11-7-10/h2-5,11-12H,6-7H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)azetidin-3-ol?
3-(4-methoxyphenyl)azetidin-3-ol has a molecular weight of 179.22 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)azetidin-3-ol is sourced from PubChem (CID 46907353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).