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

C23H21NO5 — CID 102273363

IUPAC(3R,4S)-3-(4-hydroxyphenoxy)-1,4-bis(4-methoxyphenyl)azetidin-2-one
SMILESCOc1ccc([C@H]2[C@@H](Oc3ccc(O)cc3)C(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H21NO5/c1-27-18-9-3-15(4-10-18)21-22(29-20-13-7-17(25)8-14-20)23(26)24(21)16-5-11-19(28-2)12-6-16/h3-14,21-22,25H,1-2H3/t21-,22+/m0/s1
InChIKeyXRZPFSYQEJSIFF-FCHUYYIVSA-N
MW391.42 g/mol
LogP3.94
Rot. Bonds6

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

(3R,4S)-3-(4-hydroxyphenoxy)-1,4-bis(4-methoxyphenyl)azetidin-2-one (PubChem CID 102273363) has the molecular formula C23H21NO5 and a molecular weight of 391.42 g/mol. Its IUPAC name is (3R,4S)-3-(4-hydroxyphenoxy)-1,4-bis(4-methoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-(4-hydroxyphenoxy)-1,4-bis(4-methoxyphenyl)azetidin-2-one
PubChem CID102273363
Molecular FormulaC23H21NO5
Molecular Weight391.42 g/mol
Exact Mass391.14
IUPAC Name(3R,4S)-3-(4-hydroxyphenoxy)-1,4-bis(4-methoxyphenyl)azetidin-2-one
SMILESCOc1ccc([C@H]2[C@@H](Oc3ccc(O)cc3)C(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H21NO5/c1-27-18-9-3-15(4-10-18)21-22(29-20-13-7-17(25)8-14-20)23(26)24(21)16-5-11-19(28-2)12-6-16/h3-14,21-22,25H,1-2H3/t21-,22+/m0/s1
InChIKeyXRZPFSYQEJSIFF-FCHUYYIVSA-N
XLogP3.94
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4R)-3-(4-hydroxyphenoxy)-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 102273364
(3S,4R)-4-(3-hydroxy-4-methoxyphenyl)-1-(4-methoxyphenyl)-3-phenoxyazetidin-2-one
CID 127025522
(3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 11392395
(3S,4R)-3-methoxy-1-(4-methoxyphenyl)-4-(4-methylphenyl)azetidin-2-one
CID 102052302
4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-3-phenoxyazetidin-2-one
CID 135013406
(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
(4R,5R)-1,3,4,5-tetrakis(4-methoxyphenyl)imidazolidin-2-one
CID 11124062
(3R,4S)-1-(4-methoxyphenyl)-4-pyridin-4-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one
CID 57103539
3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 67240889
(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

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-(4-hydroxyphenoxy)-1,4-bis(4-methoxyphenyl)azetidin-2-one?
The IUPAC name of (3R,4S)-3-(4-hydroxyphenoxy)-1,4-bis(4-methoxyphenyl)azetidin-2-one (CID 102273363) is (3R,4S)-3-(4-hydroxyphenoxy)-1,4-bis(4-methoxyphenyl)azetidin-2-one.
What is the SMILES notation for (3R,4S)-3-(4-hydroxyphenoxy)-1,4-bis(4-methoxyphenyl)azetidin-2-one?
The canonical SMILES for (3R,4S)-3-(4-hydroxyphenoxy)-1,4-bis(4-methoxyphenyl)azetidin-2-one is COc1ccc([C@H]2[C@@H](Oc3ccc(O)cc3)C(=O)N2c2ccc(OC)cc2)cc1.
What is the InChIKey of (3R,4S)-3-(4-hydroxyphenoxy)-1,4-bis(4-methoxyphenyl)azetidin-2-one?
The InChIKey is XRZPFSYQEJSIFF-FCHUYYIVSA-N. The full InChI is InChI=1S/C23H21NO5/c1-27-18-9-3-15(4-10-18)21-22(29-20-13-7-17(25)8-14-20)23(26)24(21)16-5-11-19(28-2)12-6-16/h3-14,21-22,25H,1-2H3/t21-,22+/m0/s1.
What are the key properties of (3R,4S)-3-(4-hydroxyphenoxy)-1,4-bis(4-methoxyphenyl)azetidin-2-one?
(3R,4S)-3-(4-hydroxyphenoxy)-1,4-bis(4-methoxyphenyl)azetidin-2-one has a molecular weight of 391.42 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-(4-hydroxyphenoxy)-1,4-bis(4-methoxyphenyl)azetidin-2-one is sourced from PubChem (CID 102273363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).