1-[2-(4-fluorophenoxy)ethyl]-3-hydroxy-4-(4-methoxyphenyl)azetidin-2-one

C18H18FNO4 — CID 67722847

IUPAC1-[2-(4-fluorophenoxy)ethyl]-3-hydroxy-4-(4-methoxyphenyl)azetidin-2-one
SMILESCOc1ccc(C2C(O)C(=O)N2CCOc2ccc(F)cc2)cc1
InChIInChI=1S/C18H18FNO4/c1-23-14-6-2-12(3-7-14)16-17(21)18(22)20(16)10-11-24-15-8-4-13(19)5-9-15/h2-9,16-17,21H,10-11H2,1H3
InChIKeyWQZWXMNNHZCFJP-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.16
Rot. Bonds6

About 1-[2-(4-fluorophenoxy)ethyl]-3-hydroxy-4-(4-methoxyphenyl)azetidin-2-one

1-[2-(4-fluorophenoxy)ethyl]-3-hydroxy-4-(4-methoxyphenyl)azetidin-2-one (PubChem CID 67722847) has the molecular formula C18H18FNO4 and a molecular weight of 331.34 g/mol. Its IUPAC name is 1-[2-(4-fluorophenoxy)ethyl]-3-hydroxy-4-(4-methoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name1-[2-(4-fluorophenoxy)ethyl]-3-hydroxy-4-(4-methoxyphenyl)azetidin-2-one
PubChem CID67722847
Molecular FormulaC18H18FNO4
Molecular Weight331.34 g/mol
Exact Mass331.12
IUPAC Name1-[2-(4-fluorophenoxy)ethyl]-3-hydroxy-4-(4-methoxyphenyl)azetidin-2-one
SMILESCOc1ccc(C2C(O)C(=O)N2CCOc2ccc(F)cc2)cc1
InChIInChI=1S/C18H18FNO4/c1-23-14-6-2-12(3-7-14)16-17(21)18(22)20(16)10-11-24-15-8-4-13(19)5-9-15/h2-9,16-17,21H,10-11H2,1H3
InChIKeyWQZWXMNNHZCFJP-UHFFFAOYSA-N
XLogP2.16
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4-fluorophenoxy)ethyl]-3-hydroxy-4-(4-methoxyphenyl)azetidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenoxy)ethyl]-3-hydroxy-4-(4-methoxyphenyl)azetidin-2-one?
The IUPAC name of 1-[2-(4-fluorophenoxy)ethyl]-3-hydroxy-4-(4-methoxyphenyl)azetidin-2-one (CID 67722847) is 1-[2-(4-fluorophenoxy)ethyl]-3-hydroxy-4-(4-methoxyphenyl)azetidin-2-one.
What is the SMILES notation for 1-[2-(4-fluorophenoxy)ethyl]-3-hydroxy-4-(4-methoxyphenyl)azetidin-2-one?
The canonical SMILES for 1-[2-(4-fluorophenoxy)ethyl]-3-hydroxy-4-(4-methoxyphenyl)azetidin-2-one is COc1ccc(C2C(O)C(=O)N2CCOc2ccc(F)cc2)cc1.
What is the InChIKey of 1-[2-(4-fluorophenoxy)ethyl]-3-hydroxy-4-(4-methoxyphenyl)azetidin-2-one?
The InChIKey is WQZWXMNNHZCFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO4/c1-23-14-6-2-12(3-7-14)16-17(21)18(22)20(16)10-11-24-15-8-4-13(19)5-9-15/h2-9,16-17,21H,10-11H2,1H3.
What are the key properties of 1-[2-(4-fluorophenoxy)ethyl]-3-hydroxy-4-(4-methoxyphenyl)azetidin-2-one?
1-[2-(4-fluorophenoxy)ethyl]-3-hydroxy-4-(4-methoxyphenyl)azetidin-2-one has a molecular weight of 331.34 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenoxy)ethyl]-3-hydroxy-4-(4-methoxyphenyl)azetidin-2-one is sourced from PubChem (CID 67722847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).