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

C23H21NO5 — CID 127025522

IUPAC(3S,4R)-4-(3-hydroxy-4-methoxyphenyl)-1-(4-methoxyphenyl)-3-phenoxyazetidin-2-one
SMILESCOc1ccc(N2C(=O)[C@@H](Oc3ccccc3)[C@H]2c2ccc(OC)c(O)c2)cc1
InChIInChI=1S/C23H21NO5/c1-27-17-11-9-16(10-12-17)24-21(15-8-13-20(28-2)19(25)14-15)22(23(24)26)29-18-6-4-3-5-7-18/h3-14,21-22,25H,1-2H3/t21-,22+/m1/s1
InChIKeyVRMPLLDLPAYEFE-YADHBBJMSA-N
MW391.42 g/mol
LogP3.94
Rot. Bonds6

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

(3S,4R)-4-(3-hydroxy-4-methoxyphenyl)-1-(4-methoxyphenyl)-3-phenoxyazetidin-2-one (PubChem CID 127025522) has the molecular formula C23H21NO5 and a molecular weight of 391.42 g/mol. Its IUPAC name is (3S,4R)-4-(3-hydroxy-4-methoxyphenyl)-1-(4-methoxyphenyl)-3-phenoxyazetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-4-(3-hydroxy-4-methoxyphenyl)-1-(4-methoxyphenyl)-3-phenoxyazetidin-2-one
PubChem CID127025522
Molecular FormulaC23H21NO5
Molecular Weight391.42 g/mol
Exact Mass391.14
IUPAC Name(3S,4R)-4-(3-hydroxy-4-methoxyphenyl)-1-(4-methoxyphenyl)-3-phenoxyazetidin-2-one
SMILESCOc1ccc(N2C(=O)[C@@H](Oc3ccccc3)[C@H]2c2ccc(OC)c(O)c2)cc1
InChIInChI=1S/C23H21NO5/c1-27-17-11-9-16(10-12-17)24-21(15-8-13-20(28-2)19(25)14-15)22(23(24)26)29-18-6-4-3-5-7-18/h3-14,21-22,25H,1-2H3/t21-,22+/m1/s1
InChIKeyVRMPLLDLPAYEFE-YADHBBJMSA-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

4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-3-phenoxyazetidin-2-one
CID 135013406
(3S,4R)-4-(3,4-dihydroxyphenyl)-3-phenoxy-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 127025179
(3S,4R)-3-(4-hydroxyphenoxy)-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 102273364
(3R,4S)-3-(4-hydroxyphenoxy)-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 102273363
(3R,4R)-4-(3-bromo-4-methoxyphenyl)-3-phenoxy-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 127025552
[2-methoxy-5-[(2R,3S)-4-oxo-3-phenoxy-1-(3,4,5-trimethoxyphenyl)azetidin-2-yl]phenyl] dihydrogen phosphate
CID 127025535
4-(4-methylsulfanylphenyl)-3-phenoxy-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 171342778
(3S,4S)-4-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-3-phenoxyazetidin-2-one
CID 7123224
(3S,4R)-1-(4-methoxyphenyl)-4-(2-nitrophenyl)-3-phenoxyazetidin-2-one
CID 11523958
4-(4-aminophenyl)-1-(4-methylphenyl)-3-phenoxyazetidin-2-one
CID 12509595
(3R,4R)-3-(difluoromethoxy)-4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 175912034
(3S,3aS,6S,6aR)-1,4-bis(4-methoxyphenyl)-3-methyl-6-phenoxy-3,3a,6,6a-tetrahydropyrrolo[3,2-b]pyrrole-2,5-dione
CID 10389432

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(3-hydroxy-4-methoxyphenyl)-1-(4-methoxyphenyl)-3-phenoxyazetidin-2-one?
The IUPAC name of (3S,4R)-4-(3-hydroxy-4-methoxyphenyl)-1-(4-methoxyphenyl)-3-phenoxyazetidin-2-one (CID 127025522) is (3S,4R)-4-(3-hydroxy-4-methoxyphenyl)-1-(4-methoxyphenyl)-3-phenoxyazetidin-2-one.
What is the SMILES notation for (3S,4R)-4-(3-hydroxy-4-methoxyphenyl)-1-(4-methoxyphenyl)-3-phenoxyazetidin-2-one?
The canonical SMILES for (3S,4R)-4-(3-hydroxy-4-methoxyphenyl)-1-(4-methoxyphenyl)-3-phenoxyazetidin-2-one is COc1ccc(N2C(=O)[C@@H](Oc3ccccc3)[C@H]2c2ccc(OC)c(O)c2)cc1.
What is the InChIKey of (3S,4R)-4-(3-hydroxy-4-methoxyphenyl)-1-(4-methoxyphenyl)-3-phenoxyazetidin-2-one?
The InChIKey is VRMPLLDLPAYEFE-YADHBBJMSA-N. The full InChI is InChI=1S/C23H21NO5/c1-27-17-11-9-16(10-12-17)24-21(15-8-13-20(28-2)19(25)14-15)22(23(24)26)29-18-6-4-3-5-7-18/h3-14,21-22,25H,1-2H3/t21-,22+/m1/s1.
What are the key properties of (3S,4R)-4-(3-hydroxy-4-methoxyphenyl)-1-(4-methoxyphenyl)-3-phenoxyazetidin-2-one?
(3S,4R)-4-(3-hydroxy-4-methoxyphenyl)-1-(4-methoxyphenyl)-3-phenoxyazetidin-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 (3S,4R)-4-(3-hydroxy-4-methoxyphenyl)-1-(4-methoxyphenyl)-3-phenoxyazetidin-2-one is sourced from PubChem (CID 127025522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).