4-[(3-methylazetidin-3-yl)oxymethyl]phenol

C11H15NO2 — CID 83065419

IUPAC4-[(3-methylazetidin-3-yl)oxymethyl]phenol
SMILESCC1(OCc2ccc(O)cc2)CNC1
InChIInChI=1S/C11H15NO2/c1-11(7-12-8-11)14-6-9-2-4-10(13)5-3-9/h2-5,12-13H,6-8H2,1H3
InChIKeyQQUPRFLEVZAUJE-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.27
Rot. Bonds3

About 4-[(3-methylazetidin-3-yl)oxymethyl]phenol

4-[(3-methylazetidin-3-yl)oxymethyl]phenol (PubChem CID 83065419) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-[(3-methylazetidin-3-yl)oxymethyl]phenol.

Molecular Properties

Compound Name4-[(3-methylazetidin-3-yl)oxymethyl]phenol
PubChem CID83065419
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name4-[(3-methylazetidin-3-yl)oxymethyl]phenol
SMILESCC1(OCc2ccc(O)cc2)CNC1
InChIInChI=1S/C11H15NO2/c1-11(7-12-8-11)14-6-9-2-4-10(13)5-3-9/h2-5,12-13H,6-8H2,1H3
InChIKeyQQUPRFLEVZAUJE-UHFFFAOYSA-N
XLogP1.27
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylazetidin-3-yl)oxymethyl]phenol?
The IUPAC name of 4-[(3-methylazetidin-3-yl)oxymethyl]phenol (CID 83065419) is 4-[(3-methylazetidin-3-yl)oxymethyl]phenol.
What is the SMILES notation for 4-[(3-methylazetidin-3-yl)oxymethyl]phenol?
The canonical SMILES for 4-[(3-methylazetidin-3-yl)oxymethyl]phenol is CC1(OCc2ccc(O)cc2)CNC1.
What is the InChIKey of 4-[(3-methylazetidin-3-yl)oxymethyl]phenol?
The InChIKey is QQUPRFLEVZAUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-11(7-12-8-11)14-6-9-2-4-10(13)5-3-9/h2-5,12-13H,6-8H2,1H3.
What are the key properties of 4-[(3-methylazetidin-3-yl)oxymethyl]phenol?
4-[(3-methylazetidin-3-yl)oxymethyl]phenol has a molecular weight of 193.25 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylazetidin-3-yl)oxymethyl]phenol is sourced from PubChem (CID 83065419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).