1-(4-methoxyphenyl)-4-(4-methylphenyl)-3-phenoxyazetidin-2-one

C23H21NO3 — CID 102284078

IUPAC1-(4-methoxyphenyl)-4-(4-methylphenyl)-3-phenoxyazetidin-2-one
SMILESCOc1ccc(N2C(=O)C(Oc3ccccc3)C2c2ccc(C)cc2)cc1
InChIInChI=1S/C23H21NO3/c1-16-8-10-17(11-9-16)21-22(27-20-6-4-3-5-7-20)23(25)24(21)18-12-14-19(26-2)15-13-18/h3-15,21-22H,1-2H3
InChIKeyMLTKDLLYPUYNCO-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.54
Rot. Bonds5

About 1-(4-methoxyphenyl)-4-(4-methylphenyl)-3-phenoxyazetidin-2-one

1-(4-methoxyphenyl)-4-(4-methylphenyl)-3-phenoxyazetidin-2-one (PubChem CID 102284078) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-(4-methylphenyl)-3-phenoxyazetidin-2-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-(4-methylphenyl)-3-phenoxyazetidin-2-one
PubChem CID102284078
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Name1-(4-methoxyphenyl)-4-(4-methylphenyl)-3-phenoxyazetidin-2-one
SMILESCOc1ccc(N2C(=O)C(Oc3ccccc3)C2c2ccc(C)cc2)cc1
InChIInChI=1S/C23H21NO3/c1-16-8-10-17(11-9-16)21-22(27-20-6-4-3-5-7-20)23(25)24(21)18-12-14-19(26-2)15-13-18/h3-15,21-22H,1-2H3
InChIKeyMLTKDLLYPUYNCO-UHFFFAOYSA-N
XLogP4.54
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-(4-methylphenyl)-3-phenoxyazetidin-2-one?
The IUPAC name of 1-(4-methoxyphenyl)-4-(4-methylphenyl)-3-phenoxyazetidin-2-one (CID 102284078) is 1-(4-methoxyphenyl)-4-(4-methylphenyl)-3-phenoxyazetidin-2-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-(4-methylphenyl)-3-phenoxyazetidin-2-one?
The canonical SMILES for 1-(4-methoxyphenyl)-4-(4-methylphenyl)-3-phenoxyazetidin-2-one is COc1ccc(N2C(=O)C(Oc3ccccc3)C2c2ccc(C)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-(4-methylphenyl)-3-phenoxyazetidin-2-one?
The InChIKey is MLTKDLLYPUYNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c1-16-8-10-17(11-9-16)21-22(27-20-6-4-3-5-7-20)23(25)24(21)18-12-14-19(26-2)15-13-18/h3-15,21-22H,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-4-(4-methylphenyl)-3-phenoxyazetidin-2-one?
1-(4-methoxyphenyl)-4-(4-methylphenyl)-3-phenoxyazetidin-2-one has a molecular weight of 359.43 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-(4-methylphenyl)-3-phenoxyazetidin-2-one is sourced from PubChem (CID 102284078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).