2-[(3-methylazetidin-3-yl)oxymethyl]phenol

C11H15NO2 — CID 115019383

IUPAC2-[(3-methylazetidin-3-yl)oxymethyl]phenol
SMILESCC1(OCc2ccccc2O)CNC1
InChIInChI=1S/C11H15NO2/c1-11(7-12-8-11)14-6-9-4-2-3-5-10(9)13/h2-5,12-13H,6-8H2,1H3
InChIKeyYPROLSSQCYPBBI-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.27
Rot. Bonds3

About 2-[(3-methylazetidin-3-yl)oxymethyl]phenol

2-[(3-methylazetidin-3-yl)oxymethyl]phenol (PubChem CID 115019383) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-[(3-methylazetidin-3-yl)oxymethyl]phenol.

Molecular Properties

Compound Name2-[(3-methylazetidin-3-yl)oxymethyl]phenol
PubChem CID115019383
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-[(3-methylazetidin-3-yl)oxymethyl]phenol
SMILESCC1(OCc2ccccc2O)CNC1
InChIInChI=1S/C11H15NO2/c1-11(7-12-8-11)14-6-9-4-2-3-5-10(9)13/h2-5,12-13H,6-8H2,1H3
InChIKeyYPROLSSQCYPBBI-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 2-[(3-methylazetidin-3-yl)oxymethyl]phenol?
The IUPAC name of 2-[(3-methylazetidin-3-yl)oxymethyl]phenol (CID 115019383) is 2-[(3-methylazetidin-3-yl)oxymethyl]phenol.
What is the SMILES notation for 2-[(3-methylazetidin-3-yl)oxymethyl]phenol?
The canonical SMILES for 2-[(3-methylazetidin-3-yl)oxymethyl]phenol is CC1(OCc2ccccc2O)CNC1.
What is the InChIKey of 2-[(3-methylazetidin-3-yl)oxymethyl]phenol?
The InChIKey is YPROLSSQCYPBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-11(7-12-8-11)14-6-9-4-2-3-5-10(9)13/h2-5,12-13H,6-8H2,1H3.
What are the key properties of 2-[(3-methylazetidin-3-yl)oxymethyl]phenol?
2-[(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 2-[(3-methylazetidin-3-yl)oxymethyl]phenol is sourced from PubChem (CID 115019383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).