3,3-diphenoxy-4,4-diphenyldioxetane

C26H20O4 — CID 5259829

IUPAC3,3-diphenoxy-4,4-diphenyldioxetane
SMILESc1ccc(OC2(Oc3ccccc3)OOC2(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H20O4/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)26(30-29-25,27-23-17-9-3-10-18-23)28-24-19-11-4-12-20-24/h1-20H
InChIKeyICSWHWGPBVHIIY-UHFFFAOYSA-N
MW396.44 g/mol
LogP5.70
Rot. Bonds6

About 3,3-diphenoxy-4,4-diphenyldioxetane

3,3-diphenoxy-4,4-diphenyldioxetane (PubChem CID 5259829) has the molecular formula C26H20O4 and a molecular weight of 396.44 g/mol. Its IUPAC name is 3,3-diphenoxy-4,4-diphenyldioxetane.

Molecular Properties

Compound Name3,3-diphenoxy-4,4-diphenyldioxetane
PubChem CID5259829
Molecular FormulaC26H20O4
Molecular Weight396.44 g/mol
Exact Mass396.14
IUPAC Name3,3-diphenoxy-4,4-diphenyldioxetane
SMILESc1ccc(OC2(Oc3ccccc3)OOC2(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H20O4/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)26(30-29-25,27-23-17-9-3-10-18-23)28-24-19-11-4-12-20-24/h1-20H
InChIKeyICSWHWGPBVHIIY-UHFFFAOYSA-N
XLogP5.70
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.44
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

(3-phenoxydioxiran-3-yl)methanol
CID 174407047
11,11-dimethyl-1,8-diphenyl-9,10-dioxatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 12742317
bismuthane;(3-phenoxydioxiran-3-yl)methanol
CID 174407046
2,2-diphenoxy-1,3-benzodioxole
CID 71335520
3-phenoxy-3-phenyloxetan-2-one
CID 150574361
3-hydroperoxy-4,4-dimethyl-3,5,5-triphenyldioxolane
CID 10690019
2-methyl-2-phenoxyoxirane
CID 19360932
4,4,5,5-tetraphenyl-1,3-dioxolan-2-one
CID 86177862
2-methyl-4,4,5,5-tetraphenyl-1,3,2-dioxalumolane
CID 16688767
4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-ium 2-oxide
CID 10764148
2-phenoxy-2-phenylpiperidine
CID 141037320
1,2,3,4,5,6,7,8,9,10-decakis-phenylhexacyclo[4.4.0.02,5.03,9.04,8.07,10]decane
CID 132561908

Frequently Asked Questions

What is the IUPAC name of 3,3-diphenoxy-4,4-diphenyldioxetane?
The IUPAC name of 3,3-diphenoxy-4,4-diphenyldioxetane (CID 5259829) is 3,3-diphenoxy-4,4-diphenyldioxetane.
What is the SMILES notation for 3,3-diphenoxy-4,4-diphenyldioxetane?
The canonical SMILES for 3,3-diphenoxy-4,4-diphenyldioxetane is c1ccc(OC2(Oc3ccccc3)OOC2(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 3,3-diphenoxy-4,4-diphenyldioxetane?
The InChIKey is ICSWHWGPBVHIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20O4/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)26(30-29-25,27-23-17-9-3-10-18-23)28-24-19-11-4-12-20-24/h1-20H.
What are the key properties of 3,3-diphenoxy-4,4-diphenyldioxetane?
3,3-diphenoxy-4,4-diphenyldioxetane has a molecular weight of 396.44 g/mol, XLogP of 5.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenoxy-4,4-diphenyldioxetane is sourced from PubChem (CID 5259829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).