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

C19H20FNO4 — CID 53089696

IUPAC[3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccc(COC2CN(C(=O)c3ccccc3OC)C2)cc1F
InChIInChI=1S/C19H20FNO4/c1-23-17-6-4-3-5-15(17)19(22)21-10-14(11-21)25-12-13-7-8-18(24-2)16(20)9-13/h3-9,14H,10-12H2,1-2H3
InChIKeyVKNIVVXOQHBLKH-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.88
Rot. Bonds6

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

[3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]-(2-methoxyphenyl)methanone (PubChem CID 53089696) has the molecular formula C19H20FNO4 and a molecular weight of 345.37 g/mol. Its IUPAC name is [3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]-(2-methoxyphenyl)methanone
PubChem CID53089696
Molecular FormulaC19H20FNO4
Molecular Weight345.37 g/mol
Exact Mass345.14
IUPAC Name[3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccc(COC2CN(C(=O)c3ccccc3OC)C2)cc1F
InChIInChI=1S/C19H20FNO4/c1-23-17-6-4-3-5-15(17)19(22)21-10-14(11-21)25-12-13-7-8-18(24-2)16(20)9-13/h3-9,14H,10-12H2,1-2H3
InChIKeyVKNIVVXOQHBLKH-UHFFFAOYSA-N
XLogP2.88
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chlorophenyl)-[3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]methanone
CID 53034757
(3-ethoxyazetidin-1-yl)-(2-methoxyphenyl)methanone
CID 123539708
1-[3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 53089691
(2-methoxyphenyl)-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone
CID 119101597
(2-ethoxyphenyl)-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone
CID 53034644
3-[(3-fluoro-4-methoxyphenyl)methoxy]-1-(4-methylphenyl)sulfonylazetidine
CID 53089890
1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 99612260
[3-(2-ethylphenoxy)azetidin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone
CID 70717345
(5-chloro-2-methoxyphenyl)-[3-(2-methoxyphenoxy)azetidin-1-yl]methanone
CID 70713898
4-[(3-fluoro-4-methoxyphenyl)methoxy]piperidine
CID 43167840
[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-(4-methylphenyl)methanone
CID 53034640
(2-methoxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 110662304

Frequently Asked Questions

What is the IUPAC name of [3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]-(2-methoxyphenyl)methanone (CID 53089696) is [3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]-(2-methoxyphenyl)methanone is COc1ccc(COC2CN(C(=O)c3ccccc3OC)C2)cc1F.
What is the InChIKey of [3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]-(2-methoxyphenyl)methanone?
The InChIKey is VKNIVVXOQHBLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO4/c1-23-17-6-4-3-5-15(17)19(22)21-10-14(11-21)25-12-13-7-8-18(24-2)16(20)9-13/h3-9,14H,10-12H2,1-2H3.
What are the key properties of [3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]-(2-methoxyphenyl)methanone?
[3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]-(2-methoxyphenyl)methanone has a molecular weight of 345.37 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 53089696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).