(4S)-4-(4-methoxyphenyl)-1-phenylazetidine-2,3-dione

C16H13NO3 — CID 23636202

IUPAC(4S)-4-(4-methoxyphenyl)-1-phenylazetidine-2,3-dione
SMILESCOc1ccc([C@H]2C(=O)C(=O)N2c2ccccc2)cc1
InChIInChI=1S/C16H13NO3/c1-20-13-9-7-11(8-10-13)14-15(18)16(19)17(14)12-5-3-2-4-6-12/h2-10,14H,1H3/t14-/m0/s1
InChIKeySYWKAFVGFCXVLX-AWEZNQCLSA-N
MW267.28 g/mol
LogP2.35
Rot. Bonds3

About (4S)-4-(4-methoxyphenyl)-1-phenylazetidine-2,3-dione

(4S)-4-(4-methoxyphenyl)-1-phenylazetidine-2,3-dione (PubChem CID 23636202) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is (4S)-4-(4-methoxyphenyl)-1-phenylazetidine-2,3-dione.

Molecular Properties

Compound Name(4S)-4-(4-methoxyphenyl)-1-phenylazetidine-2,3-dione
PubChem CID23636202
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name(4S)-4-(4-methoxyphenyl)-1-phenylazetidine-2,3-dione
SMILESCOc1ccc([C@H]2C(=O)C(=O)N2c2ccccc2)cc1
InChIInChI=1S/C16H13NO3/c1-20-13-9-7-11(8-10-13)14-15(18)16(19)17(14)12-5-3-2-4-6-12/h2-10,14H,1H3/t14-/m0/s1
InChIKeySYWKAFVGFCXVLX-AWEZNQCLSA-N
XLogP2.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-(4-methylphenyl)-1-phenylazetidine-2,3-dione
CID 14084640
4-(2-bromophenyl)-1-(4-methoxyphenyl)azetidine-2,3-dione
CID 10958913
(3Z)-3-benzylidene-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 10640985
(4E,5R)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-methoxyphenyl)-1-phenylpyrrolidine-2,3-dione
CID 5441845
(3Z,4R)-1-(4-methoxyphenyl)-4-phenyl-3-prop-2-enylideneazetidin-2-one
CID 101494314
(4Z)-4-[hydroxy(pyridin-2-yl)methylidene]-5-(4-methoxyphenyl)-1-phenylpyrrolidine-2,3-dione
CID 5348919
(4R)-3,3-difluoro-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 1217499
3-amino-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 12545415
(5S)-1-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
CID 7420614
3-bromo-4-methoxy-1,2-diphenyl-2H-pyrrol-5-one
CID 14790403
5-amino-1,7-bis(4-methoxyphenyl)-3-oxo-2-phenyl-1H-isoindole-4,6-dicarbonitrile
CID 139234554
(4R)-4-tert-butyl-1-(4-methoxyphenyl)azetidine-2,3-dione
CID 102211172

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-methoxyphenyl)-1-phenylazetidine-2,3-dione?
The IUPAC name of (4S)-4-(4-methoxyphenyl)-1-phenylazetidine-2,3-dione (CID 23636202) is (4S)-4-(4-methoxyphenyl)-1-phenylazetidine-2,3-dione.
What is the SMILES notation for (4S)-4-(4-methoxyphenyl)-1-phenylazetidine-2,3-dione?
The canonical SMILES for (4S)-4-(4-methoxyphenyl)-1-phenylazetidine-2,3-dione is COc1ccc([C@H]2C(=O)C(=O)N2c2ccccc2)cc1.
What is the InChIKey of (4S)-4-(4-methoxyphenyl)-1-phenylazetidine-2,3-dione?
The InChIKey is SYWKAFVGFCXVLX-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H13NO3/c1-20-13-9-7-11(8-10-13)14-15(18)16(19)17(14)12-5-3-2-4-6-12/h2-10,14H,1H3/t14-/m0/s1.
What are the key properties of (4S)-4-(4-methoxyphenyl)-1-phenylazetidine-2,3-dione?
(4S)-4-(4-methoxyphenyl)-1-phenylazetidine-2,3-dione has a molecular weight of 267.28 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-methoxyphenyl)-1-phenylazetidine-2,3-dione is sourced from PubChem (CID 23636202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).