2-(2-methylazetidin-1-yl)-2-phenylethanol

C12H17NO — CID 104549553

IUPAC2-(2-methylazetidin-1-yl)-2-phenylethanol
SMILESCC1CCN1C(CO)c1ccccc1
InChIInChI=1S/C12H17NO/c1-10-7-8-13(10)12(9-14)11-5-3-2-4-6-11/h2-6,10,12,14H,7-9H2,1H3
InChIKeyDPKNBEROIXJEGZ-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.81
Rot. Bonds3

About 2-(2-methylazetidin-1-yl)-2-phenylethanol

2-(2-methylazetidin-1-yl)-2-phenylethanol (PubChem CID 104549553) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-(2-methylazetidin-1-yl)-2-phenylethanol.

Molecular Properties

Compound Name2-(2-methylazetidin-1-yl)-2-phenylethanol
PubChem CID104549553
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-(2-methylazetidin-1-yl)-2-phenylethanol
SMILESCC1CCN1C(CO)c1ccccc1
InChIInChI=1S/C12H17NO/c1-10-7-8-13(10)12(9-14)11-5-3-2-4-6-11/h2-6,10,12,14H,7-9H2,1H3
InChIKeyDPKNBEROIXJEGZ-UHFFFAOYSA-N
XLogP1.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylazetidin-1-yl)-2-phenylethanol?
The IUPAC name of 2-(2-methylazetidin-1-yl)-2-phenylethanol (CID 104549553) is 2-(2-methylazetidin-1-yl)-2-phenylethanol.
What is the SMILES notation for 2-(2-methylazetidin-1-yl)-2-phenylethanol?
The canonical SMILES for 2-(2-methylazetidin-1-yl)-2-phenylethanol is CC1CCN1C(CO)c1ccccc1.
What is the InChIKey of 2-(2-methylazetidin-1-yl)-2-phenylethanol?
The InChIKey is DPKNBEROIXJEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-10-7-8-13(10)12(9-14)11-5-3-2-4-6-11/h2-6,10,12,14H,7-9H2,1H3.
What are the key properties of 2-(2-methylazetidin-1-yl)-2-phenylethanol?
2-(2-methylazetidin-1-yl)-2-phenylethanol has a molecular weight of 191.27 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylazetidin-1-yl)-2-phenylethanol is sourced from PubChem (CID 104549553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).