[3-(4-fluoro-3-methylphenoxy)azetidin-1-yl]-(4-methylphenyl)methanone

C18H18FNO2 — CID 134794607

IUPAC[3-(4-fluoro-3-methylphenoxy)azetidin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CC(Oc3ccc(F)c(C)c3)C2)cc1
InChIInChI=1S/C18H18FNO2/c1-12-3-5-14(6-4-12)18(21)20-10-16(11-20)22-15-7-8-17(19)13(2)9-15/h3-9,16H,10-11H2,1-2H3
InChIKeyHSOSPVNPUBYFJR-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.35
Rot. Bonds3

About [3-(4-fluoro-3-methylphenoxy)azetidin-1-yl]-(4-methylphenyl)methanone

[3-(4-fluoro-3-methylphenoxy)azetidin-1-yl]-(4-methylphenyl)methanone (PubChem CID 134794607) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is [3-(4-fluoro-3-methylphenoxy)azetidin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[3-(4-fluoro-3-methylphenoxy)azetidin-1-yl]-(4-methylphenyl)methanone
PubChem CID134794607
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name[3-(4-fluoro-3-methylphenoxy)azetidin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CC(Oc3ccc(F)c(C)c3)C2)cc1
InChIInChI=1S/C18H18FNO2/c1-12-3-5-14(6-4-12)18(21)20-10-16(11-20)22-15-7-8-17(19)13(2)9-15/h3-9,16H,10-11H2,1-2H3
InChIKeyHSOSPVNPUBYFJR-UHFFFAOYSA-N
XLogP3.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-4-[1-(3,4-difluorobenzoyl)azetidin-3-yl]oxy-6-methylpyridin-2-one
CID 121155821
[4-(difluoromethoxy)phenyl]-[3-(2-methylphenoxy)azetidin-1-yl]methanone
CID 70788889
[3-(4-methoxyphenoxy)azetidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 134791197
(4-methylphenyl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone
CID 122247097
[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-(4-methylphenyl)methanone
CID 53034640
[4-(4-fluoro-3-methylbenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110808179
(4-chlorophenyl)-[3-[(4-methylphenyl)methoxy]azetidin-1-yl]methanone
CID 53008478
[4-(3,4-difluorophenoxy)piperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 84561785
[3-(2-tert-butylphenoxy)azetidin-1-yl]-(4-methylphenyl)methanone
CID 126490501
4-(4-fluoro-3-methylphenoxy)-1-methylpiperidine
CID 90260319
1-[3-(4-methylphenoxy)azetidin-1-yl]prop-2-en-1-one
CID 170199428
4-[1-(3,4-dimethylbenzoyl)azetidin-3-yl]oxypyridine-2-carbonitrile
CID 165435668

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluoro-3-methylphenoxy)azetidin-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [3-(4-fluoro-3-methylphenoxy)azetidin-1-yl]-(4-methylphenyl)methanone (CID 134794607) is [3-(4-fluoro-3-methylphenoxy)azetidin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [3-(4-fluoro-3-methylphenoxy)azetidin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [3-(4-fluoro-3-methylphenoxy)azetidin-1-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CC(Oc3ccc(F)c(C)c3)C2)cc1.
What is the InChIKey of [3-(4-fluoro-3-methylphenoxy)azetidin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is HSOSPVNPUBYFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-12-3-5-14(6-4-12)18(21)20-10-16(11-20)22-15-7-8-17(19)13(2)9-15/h3-9,16H,10-11H2,1-2H3.
What are the key properties of [3-(4-fluoro-3-methylphenoxy)azetidin-1-yl]-(4-methylphenyl)methanone?
[3-(4-fluoro-3-methylphenoxy)azetidin-1-yl]-(4-methylphenyl)methanone has a molecular weight of 299.35 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluoro-3-methylphenoxy)azetidin-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 134794607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).