(3R,4S)-4-(4-methoxyphenyl)-3-phenylmethoxyazetidin-2-one

C17H17NO3 — CID 10379085

IUPAC(3R,4S)-4-(4-methoxyphenyl)-3-phenylmethoxyazetidin-2-one
SMILESCOc1ccc([C@@H]2NC(=O)[C@@H]2OCc2ccccc2)cc1
InChIInChI=1S/C17H17NO3/c1-20-14-9-7-13(8-10-14)15-16(17(19)18-15)21-11-12-5-3-2-4-6-12/h2-10,15-16H,11H2,1H3,(H,18,19)/t15-,16+/m0/s1
InChIKeyZMANMYXLXWUXHZ-JKSUJKDBSA-N
MW283.33 g/mol
LogP2.45
Rot. Bonds5

About (3R,4S)-4-(4-methoxyphenyl)-3-phenylmethoxyazetidin-2-one

(3R,4S)-4-(4-methoxyphenyl)-3-phenylmethoxyazetidin-2-one (PubChem CID 10379085) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (3R,4S)-4-(4-methoxyphenyl)-3-phenylmethoxyazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-4-(4-methoxyphenyl)-3-phenylmethoxyazetidin-2-one
PubChem CID10379085
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(3R,4S)-4-(4-methoxyphenyl)-3-phenylmethoxyazetidin-2-one
SMILESCOc1ccc([C@@H]2NC(=O)[C@@H]2OCc2ccccc2)cc1
InChIInChI=1S/C17H17NO3/c1-20-14-9-7-13(8-10-14)15-16(17(19)18-15)21-11-12-5-3-2-4-6-12/h2-10,15-16H,11H2,1H3,(H,18,19)/t15-,16+/m0/s1
InChIKeyZMANMYXLXWUXHZ-JKSUJKDBSA-N
XLogP2.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(4-methoxyphenyl)-3-phenylmethoxyazetidin-2-one?
The IUPAC name of (3R,4S)-4-(4-methoxyphenyl)-3-phenylmethoxyazetidin-2-one (CID 10379085) is (3R,4S)-4-(4-methoxyphenyl)-3-phenylmethoxyazetidin-2-one.
What is the SMILES notation for (3R,4S)-4-(4-methoxyphenyl)-3-phenylmethoxyazetidin-2-one?
The canonical SMILES for (3R,4S)-4-(4-methoxyphenyl)-3-phenylmethoxyazetidin-2-one is COc1ccc([C@@H]2NC(=O)[C@@H]2OCc2ccccc2)cc1.
What is the InChIKey of (3R,4S)-4-(4-methoxyphenyl)-3-phenylmethoxyazetidin-2-one?
The InChIKey is ZMANMYXLXWUXHZ-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H17NO3/c1-20-14-9-7-13(8-10-14)15-16(17(19)18-15)21-11-12-5-3-2-4-6-12/h2-10,15-16H,11H2,1H3,(H,18,19)/t15-,16+/m0/s1.
What are the key properties of (3R,4S)-4-(4-methoxyphenyl)-3-phenylmethoxyazetidin-2-one?
(3R,4S)-4-(4-methoxyphenyl)-3-phenylmethoxyazetidin-2-one has a molecular weight of 283.33 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(4-methoxyphenyl)-3-phenylmethoxyazetidin-2-one is sourced from PubChem (CID 10379085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).