azetidin-1-yl-(2-fluoro-4-hydroxy-6-methylphenyl)methanone

C11H12FNO2 — CID 171905666

IUPACazetidin-1-yl-(2-fluoro-4-hydroxy-6-methylphenyl)methanone
SMILESCc1cc(O)cc(F)c1C(=O)N1CCC1
InChIInChI=1S/C11H12FNO2/c1-7-5-8(14)6-9(12)10(7)11(15)13-3-2-4-13/h5-6,14H,2-4H2,1H3
InChIKeyWDCBAMHNOJIUSN-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.69
Rot. Bonds1

About azetidin-1-yl-(2-fluoro-4-hydroxy-6-methylphenyl)methanone

azetidin-1-yl-(2-fluoro-4-hydroxy-6-methylphenyl)methanone (PubChem CID 171905666) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is azetidin-1-yl-(2-fluoro-4-hydroxy-6-methylphenyl)methanone.

Molecular Properties

Compound Nameazetidin-1-yl-(2-fluoro-4-hydroxy-6-methylphenyl)methanone
PubChem CID171905666
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Nameazetidin-1-yl-(2-fluoro-4-hydroxy-6-methylphenyl)methanone
SMILESCc1cc(O)cc(F)c1C(=O)N1CCC1
InChIInChI=1S/C11H12FNO2/c1-7-5-8(14)6-9(12)10(7)11(15)13-3-2-4-13/h5-6,14H,2-4H2,1H3
InChIKeyWDCBAMHNOJIUSN-UHFFFAOYSA-N
XLogP1.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,6-difluoro-4-hydroxyphenyl)-pyrrolidin-1-ylmethanone
CID 70858755
(4-hydroxy-2,6-dimethylphenyl)-piperazin-1-ylmethanone
CID 82266519
[2-fluoro-6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 171905620
2-bromo-1-(2-fluoro-4-hydroxy-6-methylphenyl)ethanone
CID 171020338
N-cyclopentyl-2-fluoro-4-hydroxy-6-methylbenzamide
CID 171905657
(3,5-dihydroxyphenyl)-pyrrolidin-1-ylmethanone
CID 103891305
(2-fluoro-5-hydroxy-4-methylphenyl)-piperidin-1-ylmethanone
CID 171906066
(2-bromo-5-fluoro-4-methylphenyl)-piperidin-1-ylmethanone
CID 172913969
methyl 4-(2,4,6-trimethylbenzoyl)-1,4-diazepane-1-carboxylate
CID 110808728
(5-bromo-2-fluoro-4-methylphenyl)-piperidin-1-ylmethanone
CID 146171182
2-methyl-1-[4-(2,4,6-trimethylbenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 110806225
azetidin-1-yl-(2-fluoro-5-methylphenyl)methanone
CID 118296976

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-(2-fluoro-4-hydroxy-6-methylphenyl)methanone?
The IUPAC name of azetidin-1-yl-(2-fluoro-4-hydroxy-6-methylphenyl)methanone (CID 171905666) is azetidin-1-yl-(2-fluoro-4-hydroxy-6-methylphenyl)methanone.
What is the SMILES notation for azetidin-1-yl-(2-fluoro-4-hydroxy-6-methylphenyl)methanone?
The canonical SMILES for azetidin-1-yl-(2-fluoro-4-hydroxy-6-methylphenyl)methanone is Cc1cc(O)cc(F)c1C(=O)N1CCC1.
What is the InChIKey of azetidin-1-yl-(2-fluoro-4-hydroxy-6-methylphenyl)methanone?
The InChIKey is WDCBAMHNOJIUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-7-5-8(14)6-9(12)10(7)11(15)13-3-2-4-13/h5-6,14H,2-4H2,1H3.
What are the key properties of azetidin-1-yl-(2-fluoro-4-hydroxy-6-methylphenyl)methanone?
azetidin-1-yl-(2-fluoro-4-hydroxy-6-methylphenyl)methanone has a molecular weight of 209.22 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-(2-fluoro-4-hydroxy-6-methylphenyl)methanone is sourced from PubChem (CID 171905666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).