1-benzyl-3-hydroxy-4-(4-methylphenyl)azetidin-2-one

C17H17NO2 — CID 91824522

IUPAC1-benzyl-3-hydroxy-4-(4-methylphenyl)azetidin-2-one
SMILESCc1ccc(C2C(O)C(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C17H17NO2/c1-12-7-9-14(10-8-12)15-16(19)17(20)18(15)11-13-5-3-2-4-6-13/h2-10,15-16,19H,11H2,1H3
InChIKeyXSACKGDMRSHUCH-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.44
Rot. Bonds3

About 1-benzyl-3-hydroxy-4-(4-methylphenyl)azetidin-2-one

1-benzyl-3-hydroxy-4-(4-methylphenyl)azetidin-2-one (PubChem CID 91824522) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-benzyl-3-hydroxy-4-(4-methylphenyl)azetidin-2-one.

Molecular Properties

Compound Name1-benzyl-3-hydroxy-4-(4-methylphenyl)azetidin-2-one
PubChem CID91824522
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name1-benzyl-3-hydroxy-4-(4-methylphenyl)azetidin-2-one
SMILESCc1ccc(C2C(O)C(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C17H17NO2/c1-12-7-9-14(10-8-12)15-16(19)17(20)18(15)11-13-5-3-2-4-6-13/h2-10,15-16,19H,11H2,1H3
InChIKeyXSACKGDMRSHUCH-UHFFFAOYSA-N
XLogP2.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4S)-3-amino-1-benzyl-4-phenylazetidin-2-one
CID 40999549
4,11-dibenzyl-7,14-bis(4-methylphenyl)-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
CID 3922692
3-amino-1-[(4-fluorophenyl)methyl]-4-(4-methylphenyl)azetidin-2-one
CID 102537109
1-benzyl-3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-phenylimidazolidin-2-one
CID 3843715
(5S)-1-benzyl-5-methyl-3-(4-methylphenyl)imidazolidine-2,4-dione
CID 156703225
methyl (3R,4S)-1-benzyl-2-oxo-4-phenylazetidine-3-carboxylate
CID 10469773
3-acetyl-1-benzyl-4-hydroxy-2-(4-methylphenyl)-2H-pyrrol-5-one
CID 22725660
(2R)-1-benzyl-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one
CID 7289774
(4S)-1,3-dibenzyl-4-phenylazetidin-2-one
CID 58632784
2-benzyl-3-(4-chlorophenyl)-4-hydroxy-3,4-dihydroisoquinolin-1-one
CID 134869149
(5R)-1-benzyl-5-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 35674628
methyl 4-(1-benzyl-3-methyl-4-oxoazetidin-2-yl)benzoate
CID 122231365

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-hydroxy-4-(4-methylphenyl)azetidin-2-one?
The IUPAC name of 1-benzyl-3-hydroxy-4-(4-methylphenyl)azetidin-2-one (CID 91824522) is 1-benzyl-3-hydroxy-4-(4-methylphenyl)azetidin-2-one.
What is the SMILES notation for 1-benzyl-3-hydroxy-4-(4-methylphenyl)azetidin-2-one?
The canonical SMILES for 1-benzyl-3-hydroxy-4-(4-methylphenyl)azetidin-2-one is Cc1ccc(C2C(O)C(=O)N2Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-3-hydroxy-4-(4-methylphenyl)azetidin-2-one?
The InChIKey is XSACKGDMRSHUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-12-7-9-14(10-8-12)15-16(19)17(20)18(15)11-13-5-3-2-4-6-13/h2-10,15-16,19H,11H2,1H3.
What are the key properties of 1-benzyl-3-hydroxy-4-(4-methylphenyl)azetidin-2-one?
1-benzyl-3-hydroxy-4-(4-methylphenyl)azetidin-2-one has a molecular weight of 267.33 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-hydroxy-4-(4-methylphenyl)azetidin-2-one is sourced from PubChem (CID 91824522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).