4-(4-(3-Phenylpropanoyl)phenoxy)azetidin-2-one

HCID 86166

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 119005-20-8
Standard SMILES: O=C1CC(Oc2ccc(C(=O)CCc3ccccc3)cc2)N1
InChIKey: MGUSEZOXRZFTCC-UHFFFAOYSA-N
Molecular formula: C18H17NO3
Average molar mass: 295.3 g/mol
Monoisotopic mass: 295.1208434

Names & identifiers

Preferred name: 4-(4-(3-Phenylpropanoyl)phenoxy)azetidin-2-one
IUPAC: 4-[4-(3-phenylpropanoyl)phenoxy]azetidin-2-one

Names & synonyms

4-(4-(3-Phenylpropanoyl)phenoxy)azetidin-2-one4-[4-(3-phenylpropanoyl)phenoxy]azetidin-2-one119005-20-82-Azetidinone, 4-(4-(3-phenylpropanoyl)phenoxy)-DTXSID70875020

Database identifiers

CAS: 119005-20-8
PubChem CID: 86166
DTXSID: DTXSID70875020
Nikkaji: J1.561.358K

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 55.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 22
Formal charge: 0
Complexity: 395

Experimental & physicochemical properties

LogP2.48

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…