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

C12H15NO3 — CID 121200224

IUPAC2-(3-hydroxyazetidin-1-yl)-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CN2CC(O)C2)cc1
InChIInChI=1S/C12H15NO3/c1-16-11-4-2-9(3-5-11)12(15)8-13-6-10(14)7-13/h2-5,10,14H,6-8H2,1H3
InChIKeyUHLZIQVRYIAZMD-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.55
Rot. Bonds4

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

2-(3-hydroxyazetidin-1-yl)-1-(4-methoxyphenyl)ethanone (PubChem CID 121200224) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(3-hydroxyazetidin-1-yl)-1-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(3-hydroxyazetidin-1-yl)-1-(4-methoxyphenyl)ethanone
PubChem CID121200224
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-(3-hydroxyazetidin-1-yl)-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CN2CC(O)C2)cc1
InChIInChI=1S/C12H15NO3/c1-16-11-4-2-9(3-5-11)12(15)8-13-6-10(14)7-13/h2-5,10,14H,6-8H2,1H3
InChIKeyUHLZIQVRYIAZMD-UHFFFAOYSA-N
XLogP0.55
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxypyrrolidin-1-yl)-1-(4-methoxyphenyl)ethanone
CID 103535688
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 62025523
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 112626490
1-(4-methoxyphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 62777262
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1-(4-methoxyphenyl)ethanone
CID 63151115
2-(5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)-1-(4-methoxyphenyl)ethanone
CID 123728742
2-(5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-[4-(3-methoxyphenyl)phenyl]ethanone
CID 144818994
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethanone
CID 863811
1-(4-methoxyphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone
CID 63633759
2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-phenylethanone
CID 110366218
1-(4-methoxyphenyl)-2-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]ethanone
CID 170862014
1-[4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]butan-1-one
CID 110359021

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyazetidin-1-yl)-1-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-(3-hydroxyazetidin-1-yl)-1-(4-methoxyphenyl)ethanone (CID 121200224) is 2-(3-hydroxyazetidin-1-yl)-1-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(3-hydroxyazetidin-1-yl)-1-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-(3-hydroxyazetidin-1-yl)-1-(4-methoxyphenyl)ethanone is COc1ccc(C(=O)CN2CC(O)C2)cc1.
What is the InChIKey of 2-(3-hydroxyazetidin-1-yl)-1-(4-methoxyphenyl)ethanone?
The InChIKey is UHLZIQVRYIAZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-16-11-4-2-9(3-5-11)12(15)8-13-6-10(14)7-13/h2-5,10,14H,6-8H2,1H3.
What are the key properties of 2-(3-hydroxyazetidin-1-yl)-1-(4-methoxyphenyl)ethanone?
2-(3-hydroxyazetidin-1-yl)-1-(4-methoxyphenyl)ethanone has a molecular weight of 221.26 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyazetidin-1-yl)-1-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 121200224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).