4-(4-chlorophenoxy)azetidin-2-one

C9H8ClNO2 — CID 57320787

IUPAC4-(4-chlorophenoxy)azetidin-2-one
SMILESO=C1CC(Oc2ccc(Cl)cc2)N1
InChIInChI=1S/C9H8ClNO2/c10-6-1-3-7(4-2-6)13-9-5-8(12)11-9/h1-4,9H,5H2,(H,11,12)
InChIKeyRRZQJNJFKJGGJU-UHFFFAOYSA-N
MW197.62 g/mol
LogP1.56
Rot. Bonds2

About 4-(4-chlorophenoxy)azetidin-2-one

4-(4-chlorophenoxy)azetidin-2-one (PubChem CID 57320787) has the molecular formula C9H8ClNO2 and a molecular weight of 197.62 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)azetidin-2-one.

Molecular Properties

Compound Name4-(4-chlorophenoxy)azetidin-2-one
PubChem CID57320787
Molecular FormulaC9H8ClNO2
Molecular Weight197.62 g/mol
Exact Mass197.02
IUPAC Name4-(4-chlorophenoxy)azetidin-2-one
SMILESO=C1CC(Oc2ccc(Cl)cc2)N1
InChIInChI=1S/C9H8ClNO2/c10-6-1-3-7(4-2-6)13-9-5-8(12)11-9/h1-4,9H,5H2,(H,11,12)
InChIKeyRRZQJNJFKJGGJU-UHFFFAOYSA-N
XLogP1.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)azetidin-2-one?
The IUPAC name of 4-(4-chlorophenoxy)azetidin-2-one (CID 57320787) is 4-(4-chlorophenoxy)azetidin-2-one.
What is the SMILES notation for 4-(4-chlorophenoxy)azetidin-2-one?
The canonical SMILES for 4-(4-chlorophenoxy)azetidin-2-one is O=C1CC(Oc2ccc(Cl)cc2)N1.
What is the InChIKey of 4-(4-chlorophenoxy)azetidin-2-one?
The InChIKey is RRZQJNJFKJGGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO2/c10-6-1-3-7(4-2-6)13-9-5-8(12)11-9/h1-4,9H,5H2,(H,11,12).
What are the key properties of 4-(4-chlorophenoxy)azetidin-2-one?
4-(4-chlorophenoxy)azetidin-2-one has a molecular weight of 197.62 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)azetidin-2-one is sourced from PubChem (CID 57320787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).