[(2R,3S)-1-benzyl-3-phenylmethoxyazetidin-2-yl]methanol

C18H21NO2 — CID 11076939

IUPAC[(2R,3S)-1-benzyl-3-phenylmethoxyazetidin-2-yl]methanol
SMILESOC[C@@H]1[C@@H](OCc2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C18H21NO2/c20-13-17-18(21-14-16-9-5-2-6-10-16)12-19(17)11-15-7-3-1-4-8-15/h1-10,17-18,20H,11-14H2/t17-,18+/m1/s1
InChIKeyUTEFTMHLLNITPU-MSOLQXFVSA-N
MW283.37 g/mol
LogP2.45
Rot. Bonds6

About [(2R,3S)-1-benzyl-3-phenylmethoxyazetidin-2-yl]methanol

[(2R,3S)-1-benzyl-3-phenylmethoxyazetidin-2-yl]methanol (PubChem CID 11076939) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is [(2R,3S)-1-benzyl-3-phenylmethoxyazetidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3S)-1-benzyl-3-phenylmethoxyazetidin-2-yl]methanol
PubChem CID11076939
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name[(2R,3S)-1-benzyl-3-phenylmethoxyazetidin-2-yl]methanol
SMILESOC[C@@H]1[C@@H](OCc2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C18H21NO2/c20-13-17-18(21-14-16-9-5-2-6-10-16)12-19(17)11-15-7-3-1-4-8-15/h1-10,17-18,20H,11-14H2/t17-,18+/m1/s1
InChIKeyUTEFTMHLLNITPU-MSOLQXFVSA-N
XLogP2.45
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-1-benzyl-3-phenylmethoxyazetidin-2-yl]methanol?
The IUPAC name of [(2R,3S)-1-benzyl-3-phenylmethoxyazetidin-2-yl]methanol (CID 11076939) is [(2R,3S)-1-benzyl-3-phenylmethoxyazetidin-2-yl]methanol.
What is the SMILES notation for [(2R,3S)-1-benzyl-3-phenylmethoxyazetidin-2-yl]methanol?
The canonical SMILES for [(2R,3S)-1-benzyl-3-phenylmethoxyazetidin-2-yl]methanol is OC[C@@H]1[C@@H](OCc2ccccc2)CN1Cc1ccccc1.
What is the InChIKey of [(2R,3S)-1-benzyl-3-phenylmethoxyazetidin-2-yl]methanol?
The InChIKey is UTEFTMHLLNITPU-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H21NO2/c20-13-17-18(21-14-16-9-5-2-6-10-16)12-19(17)11-15-7-3-1-4-8-15/h1-10,17-18,20H,11-14H2/t17-,18+/m1/s1.
What are the key properties of [(2R,3S)-1-benzyl-3-phenylmethoxyazetidin-2-yl]methanol?
[(2R,3S)-1-benzyl-3-phenylmethoxyazetidin-2-yl]methanol has a molecular weight of 283.37 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-1-benzyl-3-phenylmethoxyazetidin-2-yl]methanol is sourced from PubChem (CID 11076939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).