4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-3-phenoxyazetidin-2-one

C24H23NO5 — CID 135013406

IUPAC4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-3-phenoxyazetidin-2-one
SMILESCOc1ccc(N2C(=O)C(Oc3ccccc3)C2c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C24H23NO5/c1-27-18-12-10-17(11-13-18)25-22(16-9-14-20(28-2)21(15-16)29-3)23(24(25)26)30-19-7-5-4-6-8-19/h4-15,22-23H,1-3H3
InChIKeyARHNDSOMNPOZHU-UHFFFAOYSA-N
MW405.45 g/mol
LogP4.25
Rot. Bonds7

About 4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-3-phenoxyazetidin-2-one

4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-3-phenoxyazetidin-2-one (PubChem CID 135013406) has the molecular formula C24H23NO5 and a molecular weight of 405.45 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-3-phenoxyazetidin-2-one.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-3-phenoxyazetidin-2-one
PubChem CID135013406
Molecular FormulaC24H23NO5
Molecular Weight405.45 g/mol
Exact Mass405.16
IUPAC Name4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-3-phenoxyazetidin-2-one
SMILESCOc1ccc(N2C(=O)C(Oc3ccccc3)C2c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C24H23NO5/c1-27-18-12-10-17(11-13-18)25-22(16-9-14-20(28-2)21(15-16)29-3)23(24(25)26)30-19-7-5-4-6-8-19/h4-15,22-23H,1-3H3
InChIKeyARHNDSOMNPOZHU-UHFFFAOYSA-N
XLogP4.25
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4R)-4-(3-hydroxy-4-methoxyphenyl)-1-(4-methoxyphenyl)-3-phenoxyazetidin-2-one
CID 127025522
(3S,4S)-4-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-3-phenoxyazetidin-2-one
CID 7123224
(3R,4R)-3-amino-4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)azetidin-2-one
CID 124503279
[2-methoxy-5-[(2R,3S)-4-oxo-3-phenoxy-1-(3,4,5-trimethoxyphenyl)azetidin-2-yl]phenyl] dihydrogen phosphate
CID 127025535
(3R,4R)-4-(3-bromo-4-methoxyphenyl)-3-phenoxy-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 127025552
(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)-4-(3,4-dihydroxyphenyl)-3-phenoxy-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 127025179
4-(4-methylsulfanylphenyl)-3-phenoxy-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 171342778
(3S,4R)-1-(4-methoxyphenyl)-4-(2-nitrophenyl)-3-phenoxyazetidin-2-one
CID 11523958
(3S,4R)-3-amino-4-(3,4-dimethoxyphenyl)-1-(3-methoxyphenyl)azetidin-2-one
CID 124503855
4-(4-aminophenyl)-1-(4-methylphenyl)-3-phenoxyazetidin-2-one
CID 12509595

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-3-phenoxyazetidin-2-one?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-3-phenoxyazetidin-2-one (CID 135013406) is 4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-3-phenoxyazetidin-2-one.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-3-phenoxyazetidin-2-one?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-3-phenoxyazetidin-2-one is COc1ccc(N2C(=O)C(Oc3ccccc3)C2c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-3-phenoxyazetidin-2-one?
The InChIKey is ARHNDSOMNPOZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO5/c1-27-18-12-10-17(11-13-18)25-22(16-9-14-20(28-2)21(15-16)29-3)23(24(25)26)30-19-7-5-4-6-8-19/h4-15,22-23H,1-3H3.
What are the key properties of 4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-3-phenoxyazetidin-2-one?
4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-3-phenoxyazetidin-2-one has a molecular weight of 405.45 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-3-phenoxyazetidin-2-one is sourced from PubChem (CID 135013406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).