(4S)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one

C16H15NO2 — CID 10354907

IUPAC(4S)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
SMILESCOc1ccc(N2C(=O)C[C@H]2c2ccccc2)cc1
InChIInChI=1S/C16H15NO2/c1-19-14-9-7-13(8-10-14)17-15(11-16(17)18)12-5-3-2-4-6-12/h2-10,15H,11H2,1H3/t15-/m0/s1
InChIKeyKMVMYLUYRYWTSX-HNNXBMFYSA-N
MW253.30 g/mol
LogP3.17
Rot. Bonds3

About (4S)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one

(4S)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one (PubChem CID 10354907) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is (4S)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one.

Molecular Properties

Compound Name(4S)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
PubChem CID10354907
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name(4S)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
SMILESCOc1ccc(N2C(=O)C[C@H]2c2ccccc2)cc1
InChIInChI=1S/C16H15NO2/c1-19-14-9-7-13(8-10-14)17-15(11-16(17)18)12-5-3-2-4-6-12/h2-10,15H,11H2,1H3/t15-/m0/s1
InChIKeyKMVMYLUYRYWTSX-HNNXBMFYSA-N
XLogP3.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one?
The IUPAC name of (4S)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one (CID 10354907) is (4S)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one.
What is the SMILES notation for (4S)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one?
The canonical SMILES for (4S)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one is COc1ccc(N2C(=O)C[C@H]2c2ccccc2)cc1.
What is the InChIKey of (4S)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one?
The InChIKey is KMVMYLUYRYWTSX-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-19-14-9-7-13(8-10-14)17-15(11-16(17)18)12-5-3-2-4-6-12/h2-10,15H,11H2,1H3/t15-/m0/s1.
What are the key properties of (4S)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one?
(4S)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one has a molecular weight of 253.30 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one is sourced from PubChem (CID 10354907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).