1-[3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]-2-(4-methoxyphenyl)ethanone

C20H22FNO4 — CID 53089691

IUPAC1-[3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CC(OCc3ccc(OC)c(F)c3)C2)cc1
InChIInChI=1S/C20H22FNO4/c1-24-16-6-3-14(4-7-16)10-20(23)22-11-17(12-22)26-13-15-5-8-19(25-2)18(21)9-15/h3-9,17H,10-13H2,1-2H3
InChIKeyUQCSQAXKYIQKFF-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.81
Rot. Bonds7

About 1-[3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]-2-(4-methoxyphenyl)ethanone

1-[3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]-2-(4-methoxyphenyl)ethanone (PubChem CID 53089691) has the molecular formula C20H22FNO4 and a molecular weight of 359.40 g/mol. Its IUPAC name is 1-[3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]-2-(4-methoxyphenyl)ethanone
PubChem CID53089691
Molecular FormulaC20H22FNO4
Molecular Weight359.40 g/mol
Exact Mass359.15
IUPAC Name1-[3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CC(OCc3ccc(OC)c(F)c3)C2)cc1
InChIInChI=1S/C20H22FNO4/c1-24-16-6-3-14(4-7-16)10-20(23)22-11-17(12-22)26-13-15-5-8-19(25-2)18(21)9-15/h3-9,17H,10-13H2,1-2H3
InChIKeyUQCSQAXKYIQKFF-UHFFFAOYSA-N
XLogP2.81
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]-2-(4-methoxyphenyl)ethanone with MolForge

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Related Compounds

[3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]-(2-methoxyphenyl)methanone
CID 53089696
(3-chlorophenyl)-[3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]methanone
CID 53034757
1-(3-hydroxyazetidin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 63106560
1-(azepan-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 60667511
3-[(3-fluoro-4-methoxyphenyl)methoxy]-1-(4-methylphenyl)sulfonylazetidine
CID 53089890
2-(3,4-dimethoxyphenyl)-1-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]ethanone
CID 121018911
4-[(3-fluoro-4-methoxyphenyl)methoxy]piperidine
CID 43167840
4-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperazine-2,6-dione
CID 66083020
1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(4-methoxyphenyl)ethanone
CID 66213547
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 119634986
2-(4-chlorophenyl)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 110399355
1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 99612260

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 1-[3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]-2-(4-methoxyphenyl)ethanone (CID 53089691) is 1-[3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-[3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]-2-(4-methoxyphenyl)ethanone is COc1ccc(CC(=O)N2CC(OCc3ccc(OC)c(F)c3)C2)cc1.
What is the InChIKey of 1-[3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]-2-(4-methoxyphenyl)ethanone?
The InChIKey is UQCSQAXKYIQKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO4/c1-24-16-6-3-14(4-7-16)10-20(23)22-11-17(12-22)26-13-15-5-8-19(25-2)18(21)9-15/h3-9,17H,10-13H2,1-2H3.
What are the key properties of 1-[3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]-2-(4-methoxyphenyl)ethanone?
1-[3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]-2-(4-methoxyphenyl)ethanone has a molecular weight of 359.40 g/mol, XLogP of 2.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 53089691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).