3-(4-hydroxyphenyl)-4-methylazetidin-2-one

C10H11NO2 — CID 141021087

IUPAC3-(4-hydroxyphenyl)-4-methylazetidin-2-one
SMILESCC1NC(=O)C1c1ccc(O)cc1
InChIInChI=1S/C10H11NO2/c1-6-9(10(13)11-6)7-2-4-8(12)5-3-7/h2-6,9,12H,1H3,(H,11,13)
InChIKeyXXDABLVCZIOIEF-UHFFFAOYSA-N
MW177.20 g/mol
LogP0.99
Rot. Bonds1

About 3-(4-hydroxyphenyl)-4-methylazetidin-2-one

3-(4-hydroxyphenyl)-4-methylazetidin-2-one (PubChem CID 141021087) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-4-methylazetidin-2-one.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-4-methylazetidin-2-one
PubChem CID141021087
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name3-(4-hydroxyphenyl)-4-methylazetidin-2-one
SMILESCC1NC(=O)C1c1ccc(O)cc1
InChIInChI=1S/C10H11NO2/c1-6-9(10(13)11-6)7-2-4-8(12)5-3-7/h2-6,9,12H,1H3,(H,11,13)
InChIKeyXXDABLVCZIOIEF-UHFFFAOYSA-N
XLogP0.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-(4-hydroxyphenyl)azetidin-2-one
CID 72988124
5-(4-hydroxyphenyl)imidazolidine-2,4-dione
CID 159859205
1,4-bis(4-hydroxyphenyl)-1,3,3a,4,6,6a-hexahydropentalene-2,5-dione
CID 163038939
(3S)-3-(4-hydroxyphenyl)piperazine-2,5-dione
CID 129497891
5-(4-hydroxyphenyl)-1-methylimidazolidine-2,4-dione
CID 82112832
5-(4-hydroxyphenyl)-2-methylcyclohexan-1-one
CID 141374668
4-(4-hydroxyphenyl)pyrrolidine-2,3,5-trione
CID 91446526
2-(4-hydroxyphenyl)-1-methylimidazolidin-4-one
CID 174408760
(3S)-3-(4-hydroxyphenyl)-1-propan-2-ylpiperazine-2,5-dione
CID 129498052
(4R)-4-(4-hydroxyphenyl)imidazolidin-2-one
CID 130739851
(3S)-3-(4-hydroxyphenyl)-1-methylpiperazine-2,5-dione
CID 129497711
1-ethyl-5-(4-hydroxyphenyl)imidazolidine-2,4-dione
CID 175148611

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-4-methylazetidin-2-one?
The IUPAC name of 3-(4-hydroxyphenyl)-4-methylazetidin-2-one (CID 141021087) is 3-(4-hydroxyphenyl)-4-methylazetidin-2-one.
What is the SMILES notation for 3-(4-hydroxyphenyl)-4-methylazetidin-2-one?
The canonical SMILES for 3-(4-hydroxyphenyl)-4-methylazetidin-2-one is CC1NC(=O)C1c1ccc(O)cc1.
What is the InChIKey of 3-(4-hydroxyphenyl)-4-methylazetidin-2-one?
The InChIKey is XXDABLVCZIOIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-6-9(10(13)11-6)7-2-4-8(12)5-3-7/h2-6,9,12H,1H3,(H,11,13).
What are the key properties of 3-(4-hydroxyphenyl)-4-methylazetidin-2-one?
3-(4-hydroxyphenyl)-4-methylazetidin-2-one has a molecular weight of 177.20 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-4-methylazetidin-2-one is sourced from PubChem (CID 141021087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).