(3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)azetidin-2-one

C17H17NO4 — CID 11392395

IUPAC(3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)azetidin-2-one
SMILESCOc1ccc([C@@H]2[C@H](O)C(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H17NO4/c1-21-13-7-3-11(4-8-13)15-16(19)17(20)18(15)12-5-9-14(22-2)10-6-12/h3-10,15-16,19H,1-2H3/t15-,16+/m1/s1
InChIKeyXSJZCZIPTZAURU-CVEARBPZSA-N
MW299.33 g/mol
LogP2.15
Rot. Bonds4

About (3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)azetidin-2-one

(3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)azetidin-2-one (PubChem CID 11392395) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is (3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)azetidin-2-one
PubChem CID11392395
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name(3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)azetidin-2-one
SMILESCOc1ccc([C@@H]2[C@H](O)C(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H17NO4/c1-21-13-7-3-11(4-8-13)15-16(19)17(20)18(15)12-5-9-14(22-2)10-6-12/h3-10,15-16,19H,1-2H3/t15-,16+/m1/s1
InChIKeyXSJZCZIPTZAURU-CVEARBPZSA-N
XLogP2.15
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-1-(3,5-dimethoxyphenyl)-3-hydroxy-4-(4-methoxyphenyl)azetidin-2-one
CID 144520050
(3S,4S)-1-(3,5-dimethoxyphenyl)-3-hydroxy-4-(4-methoxyphenyl)azetidin-2-one
CID 56963906
(3S,4R)-4-(4-azidophenyl)-3-hydroxy-1-(4-methoxyphenyl)azetidin-2-one
CID 11335875
(4R,5R)-1,3,4,5-tetrakis(4-methoxyphenyl)imidazolidin-2-one
CID 11124062
(3R,4S)-1,4-bis(4-methoxyphenyl)-3-phenylazetidin-2-one
CID 101388237
1-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)azetidin-2-one
CID 75219177
(3S,4R)-1,4-bis(4-methoxyphenyl)-3-methylsulfinylazetidin-2-one
CID 53493590
(3R,4S)-3-(4-hydroxyphenoxy)-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 102273363
(3S,4R)-3-(4-hydroxyphenoxy)-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 102273364
(3S,4R)-3-methoxy-1-(4-methoxyphenyl)-4-(4-methylphenyl)azetidin-2-one
CID 102052302
actinium;(4R)-4-(furan-2-yl)-3-hydroxy-1-(4-methoxyphenyl)azetidin-2-one
CID 59880313
(3R,4S)-3-hydroxy-1,4-diphenylazetidin-2-one
CID 11424956

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)azetidin-2-one?
The IUPAC name of (3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)azetidin-2-one (CID 11392395) is (3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)azetidin-2-one.
What is the SMILES notation for (3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)azetidin-2-one?
The canonical SMILES for (3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)azetidin-2-one is COc1ccc([C@@H]2[C@H](O)C(=O)N2c2ccc(OC)cc2)cc1.
What is the InChIKey of (3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)azetidin-2-one?
The InChIKey is XSJZCZIPTZAURU-CVEARBPZSA-N. The full InChI is InChI=1S/C17H17NO4/c1-21-13-7-3-11(4-8-13)15-16(19)17(20)18(15)12-5-9-14(22-2)10-6-12/h3-10,15-16,19H,1-2H3/t15-,16+/m1/s1.
What are the key properties of (3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)azetidin-2-one?
(3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)azetidin-2-one has a molecular weight of 299.33 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)azetidin-2-one is sourced from PubChem (CID 11392395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).