[3-(3-methoxyphenoxy)azetidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone

C24H23NO4 — CID 131920038

IUPAC[3-(3-methoxyphenoxy)azetidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
SMILESCOc1cccc(OC2CN(C(=O)c3cccc(-c4ccccc4OC)c3)C2)c1
InChIInChI=1S/C24H23NO4/c1-27-19-9-6-10-20(14-19)29-21-15-25(16-21)24(26)18-8-5-7-17(13-18)22-11-3-4-12-23(22)28-2/h3-14,21H,15-16H2,1-2H3
InChIKeyYKJWLYOCOCFSFJ-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.27
Rot. Bonds6

About [3-(3-methoxyphenoxy)azetidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone

[3-(3-methoxyphenoxy)azetidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone (PubChem CID 131920038) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is [3-(3-methoxyphenoxy)azetidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone.

Molecular Properties

Compound Name[3-(3-methoxyphenoxy)azetidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
PubChem CID131920038
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name[3-(3-methoxyphenoxy)azetidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
SMILESCOc1cccc(OC2CN(C(=O)c3cccc(-c4ccccc4OC)c3)C2)c1
InChIInChI=1S/C24H23NO4/c1-27-19-9-6-10-20(14-19)29-21-15-25(16-21)24(26)18-8-5-7-17(13-18)22-11-3-4-12-23(22)28-2/h3-14,21H,15-16H2,1-2H3
InChIKeyYKJWLYOCOCFSFJ-UHFFFAOYSA-N
XLogP4.27
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(3-methoxyphenoxy)azetidin-1-yl]-(2-phenylphenyl)methanone
CID 70775085
[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
CID 131945890
2-(4-methoxyphenyl)-1-[4-[3-(2-methoxyphenyl)benzoyl]piperazin-1-yl]ethanone
CID 134802866
(3aS,6aS)-5-[3-(2-methoxyphenyl)benzoyl]-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3-one
CID 163317338
[3-(3-methoxyphenoxy)azetidin-1-yl]-(2-propoxyphenyl)methanone
CID 70729315
[4-(2-fluorobenzoyl)piperazin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
CID 134800061
(3-hydroxyazetidin-1-yl)-(3-methoxyphenyl)methanone
CID 63107497
3-(2-methoxyphenyl)benzoic acid
CID 2759547
[3-(3-methoxyphenoxy)azetidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 70744426
2-(benzotriazol-2-yl)-1-[3-(3-methoxyphenoxy)azetidin-1-yl]ethanone
CID 70750140
[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
CID 155499944
4-[3-(2,5-dimethoxyphenyl)phenoxy]-N-(2-methoxyphenyl)piperidine-1-carboxamide
CID 24733703

Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxyphenoxy)azetidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone?
The IUPAC name of [3-(3-methoxyphenoxy)azetidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone (CID 131920038) is [3-(3-methoxyphenoxy)azetidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone.
What is the SMILES notation for [3-(3-methoxyphenoxy)azetidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone?
The canonical SMILES for [3-(3-methoxyphenoxy)azetidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone is COc1cccc(OC2CN(C(=O)c3cccc(-c4ccccc4OC)c3)C2)c1.
What is the InChIKey of [3-(3-methoxyphenoxy)azetidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone?
The InChIKey is YKJWLYOCOCFSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c1-27-19-9-6-10-20(14-19)29-21-15-25(16-21)24(26)18-8-5-7-17(13-18)22-11-3-4-12-23(22)28-2/h3-14,21H,15-16H2,1-2H3.
What are the key properties of [3-(3-methoxyphenoxy)azetidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone?
[3-(3-methoxyphenoxy)azetidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone has a molecular weight of 389.45 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxyphenoxy)azetidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone is sourced from PubChem (CID 131920038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).