1-(3-hydroxyazetidin-1-yl)-2-(4-methoxyphenyl)ethanone

C12H15NO3 — CID 63106560

IUPAC1-(3-hydroxyazetidin-1-yl)-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CC(O)C2)cc1
InChIInChI=1S/C12H15NO3/c1-16-11-4-2-9(3-5-11)6-12(15)13-7-10(14)8-13/h2-5,10,14H,6-8H2,1H3
InChIKeyFKJHJGUDMILNKD-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.44
Rot. Bonds3

About 1-(3-hydroxyazetidin-1-yl)-2-(4-methoxyphenyl)ethanone

1-(3-hydroxyazetidin-1-yl)-2-(4-methoxyphenyl)ethanone (PubChem CID 63106560) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-(3-hydroxyazetidin-1-yl)-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3-hydroxyazetidin-1-yl)-2-(4-methoxyphenyl)ethanone
PubChem CID63106560
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name1-(3-hydroxyazetidin-1-yl)-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CC(O)C2)cc1
InChIInChI=1S/C12H15NO3/c1-16-11-4-2-9(3-5-11)6-12(15)13-7-10(14)8-13/h2-5,10,14H,6-8H2,1H3
InChIKeyFKJHJGUDMILNKD-UHFFFAOYSA-N
XLogP0.44
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(4-methoxyphenyl)ethanone
CID 66213547
1-[3-(4-acetylpiperazin-1-yl)azetidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 84579645
2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 668771
1-[2-(4-methoxyphenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 63006760
1-(3-aminopyrrolidin-1-yl)-2-(4-methoxyphenyl)ethanone;hydrochloride
CID 119482626
1-(4-benzyl-3,5-dimethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 110393885
2-(4-methoxyphenyl)-1-thiomorpholin-4-ylethanone
CID 78793597
2-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride
CID 17387901
1-(4-ethylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 67585408
1-[4-(dimethylamino)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110866811
2-(4-methoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119577033
2-(4-methoxyphenyl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone
CID 121154692

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyazetidin-1-yl)-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 1-(3-hydroxyazetidin-1-yl)-2-(4-methoxyphenyl)ethanone (CID 63106560) is 1-(3-hydroxyazetidin-1-yl)-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(3-hydroxyazetidin-1-yl)-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-(3-hydroxyazetidin-1-yl)-2-(4-methoxyphenyl)ethanone is COc1ccc(CC(=O)N2CC(O)C2)cc1.
What is the InChIKey of 1-(3-hydroxyazetidin-1-yl)-2-(4-methoxyphenyl)ethanone?
The InChIKey is FKJHJGUDMILNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-16-11-4-2-9(3-5-11)6-12(15)13-7-10(14)8-13/h2-5,10,14H,6-8H2,1H3.
What are the key properties of 1-(3-hydroxyazetidin-1-yl)-2-(4-methoxyphenyl)ethanone?
1-(3-hydroxyazetidin-1-yl)-2-(4-methoxyphenyl)ethanone has a molecular weight of 221.26 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyazetidin-1-yl)-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 63106560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).