1-(2,4-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)ethanone

C13H17NO2 — CID 121200226

IUPAC1-(2,4-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)ethanone
SMILESCc1ccc(C(=O)CN2CC(O)C2)c(C)c1
InChIInChI=1S/C13H17NO2/c1-9-3-4-12(10(2)5-9)13(16)8-14-6-11(15)7-14/h3-5,11,15H,6-8H2,1-2H3
InChIKeyLJVAOEAXOUEUPO-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.16
Rot. Bonds3

About 1-(2,4-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)ethanone

1-(2,4-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)ethanone (PubChem CID 121200226) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)ethanone
PubChem CID121200226
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-(2,4-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)ethanone
SMILESCc1ccc(C(=O)CN2CC(O)C2)c(C)c1
InChIInChI=1S/C13H17NO2/c1-9-3-4-12(10(2)5-9)13(16)8-14-6-11(15)7-14/h3-5,11,15H,6-8H2,1-2H3
InChIKeyLJVAOEAXOUEUPO-UHFFFAOYSA-N
XLogP1.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,4-dimethylphenyl)ethanone
CID 103535673
2-(azocan-1-yl)-1-(2,4-dimethylphenyl)ethanone
CID 43219875
1-(2,4-dimethylphenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 43219443
1-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-methylpiperidin-4-one
CID 114501233
1-(2,4-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 106836618
1-(2,4-dimethylphenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 60650789
2-(4-cyclohexylpiperazin-1-yl)-1-(2,4-dimethylphenyl)ethanone
CID 90643116
N-(2,5-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide
CID 63282334
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(2,5-dimethylphenyl)ethanone
CID 93026027
1-[4-[2-(2,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]butan-1-one
CID 110366640
1-(2,4-dimethylphenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone
CID 110366678
2-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 43794292

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)ethanone?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)ethanone (CID 121200226) is 1-(2,4-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)ethanone.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)ethanone?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)ethanone is Cc1ccc(C(=O)CN2CC(O)C2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)ethanone?
The InChIKey is LJVAOEAXOUEUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9-3-4-12(10(2)5-9)13(16)8-14-6-11(15)7-14/h3-5,11,15H,6-8H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)ethanone?
1-(2,4-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)ethanone has a molecular weight of 219.28 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)ethanone is sourced from PubChem (CID 121200226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).