3-(4-chlorophenyl)-3-hydroxyazetidin-2-one

C9H8ClNO2 — CID 169291636

IUPAC3-(4-chlorophenyl)-3-hydroxyazetidin-2-one
SMILESO=C1NCC1(O)c1ccc(Cl)cc1
InChIInChI=1S/C9H8ClNO2/c10-7-3-1-6(2-4-7)9(13)5-11-8(9)12/h1-4,13H,5H2,(H,11,12)
InChIKeyPLKMVHYTAJVMSA-UHFFFAOYSA-N
MW197.62 g/mol
LogP0.66
Rot. Bonds1

About 3-(4-chlorophenyl)-3-hydroxyazetidin-2-one

3-(4-chlorophenyl)-3-hydroxyazetidin-2-one (PubChem CID 169291636) has the molecular formula C9H8ClNO2 and a molecular weight of 197.62 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-hydroxyazetidin-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-hydroxyazetidin-2-one
PubChem CID169291636
Molecular FormulaC9H8ClNO2
Molecular Weight197.62 g/mol
Exact Mass197.02
IUPAC Name3-(4-chlorophenyl)-3-hydroxyazetidin-2-one
SMILESO=C1NCC1(O)c1ccc(Cl)cc1
InChIInChI=1S/C9H8ClNO2/c10-7-3-1-6(2-4-7)9(13)5-11-8(9)12/h1-4,13H,5H2,(H,11,12)
InChIKeyPLKMVHYTAJVMSA-UHFFFAOYSA-N
XLogP0.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-hydroxyazetidin-2-one?
The IUPAC name of 3-(4-chlorophenyl)-3-hydroxyazetidin-2-one (CID 169291636) is 3-(4-chlorophenyl)-3-hydroxyazetidin-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)-3-hydroxyazetidin-2-one?
The canonical SMILES for 3-(4-chlorophenyl)-3-hydroxyazetidin-2-one is O=C1NCC1(O)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-3-hydroxyazetidin-2-one?
The InChIKey is PLKMVHYTAJVMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO2/c10-7-3-1-6(2-4-7)9(13)5-11-8(9)12/h1-4,13H,5H2,(H,11,12).
What are the key properties of 3-(4-chlorophenyl)-3-hydroxyazetidin-2-one?
3-(4-chlorophenyl)-3-hydroxyazetidin-2-one has a molecular weight of 197.62 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-hydroxyazetidin-2-one is sourced from PubChem (CID 169291636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).