3-phenoxy-3-phenyloxetan-2-one

C15H12O3 — CID 150574361

IUPAC3-phenoxy-3-phenyloxetan-2-one
SMILESO=C1OCC1(Oc1ccccc1)c1ccccc1
InChIInChI=1S/C15H12O3/c16-14-15(11-17-14,12-7-3-1-4-8-12)18-13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyIMMLYILDNFKDRL-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.52
Rot. Bonds3

About 3-phenoxy-3-phenyloxetan-2-one

3-phenoxy-3-phenyloxetan-2-one (PubChem CID 150574361) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-phenoxy-3-phenyloxetan-2-one.

Molecular Properties

Compound Name3-phenoxy-3-phenyloxetan-2-one
PubChem CID150574361
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name3-phenoxy-3-phenyloxetan-2-one
SMILESO=C1OCC1(Oc1ccccc1)c1ccccc1
InChIInChI=1S/C15H12O3/c16-14-15(11-17-14,12-7-3-1-4-8-12)18-13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyIMMLYILDNFKDRL-UHFFFAOYSA-N
XLogP2.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'four_member_lactones', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-3-phenoxy-3-phenyloxolan-2-one
CID 150715290
2-methyl-2-phenoxyoxirane
CID 19360932
trimethyl-[(2S)-2-phenyloxiran-2-yl]silane
CID 135037115
(3R,6S)-3,6-bis(4-methylphenoxy)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 39353102
4-hydroxy-3,5,5-trimethyl-3-phenylmorpholin-2-one
CID 69426851
3,3-diphenoxy-4,4-diphenyldioxetane
CID 5259829
2,5,5-trimethyl-2-phenoxy-1,3-dioxolan-4-one
CID 121012927
3-methyl-3-phenyloxolan-2-one
CID 15937425
phenoxybismuthane
CID 172997794
3-phenoxy-3-phenyl-1H-indol-2-one
CID 86077278
tert-butyl (1R)-2-oxo-5-phenyl-3-oxabicyclo[3.1.0]hexane-1-carboxylate
CID 59692973
trimethyl-(1-phenylcyclopropyl)silane
CID 5314804

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-3-phenyloxetan-2-one?
The IUPAC name of 3-phenoxy-3-phenyloxetan-2-one (CID 150574361) is 3-phenoxy-3-phenyloxetan-2-one.
What is the SMILES notation for 3-phenoxy-3-phenyloxetan-2-one?
The canonical SMILES for 3-phenoxy-3-phenyloxetan-2-one is O=C1OCC1(Oc1ccccc1)c1ccccc1.
What is the InChIKey of 3-phenoxy-3-phenyloxetan-2-one?
The InChIKey is IMMLYILDNFKDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c16-14-15(11-17-14,12-7-3-1-4-8-12)18-13-9-5-2-6-10-13/h1-10H,11H2.
What are the key properties of 3-phenoxy-3-phenyloxetan-2-one?
3-phenoxy-3-phenyloxetan-2-one has a molecular weight of 240.26 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-3-phenyloxetan-2-one is sourced from PubChem (CID 150574361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).