5-(4-chlorophenyl)-3,3-diphenyl-1,2,4-trioxolane

C20H15ClO3 — CID 14809978

IUPAC5-(4-chlorophenyl)-3,3-diphenyl-1,2,4-trioxolane
SMILESClc1ccc(C2OOC(c3ccccc3)(c3ccccc3)O2)cc1
InChIInChI=1S/C20H15ClO3/c21-18-13-11-15(12-14-18)19-22-20(24-23-19,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,19H
InChIKeyYHPKCBPOIISZGD-UHFFFAOYSA-N
MW338.79 g/mol
LogP5.22
Rot. Bonds3

About 5-(4-chlorophenyl)-3,3-diphenyl-1,2,4-trioxolane

5-(4-chlorophenyl)-3,3-diphenyl-1,2,4-trioxolane (PubChem CID 14809978) has the molecular formula C20H15ClO3 and a molecular weight of 338.79 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3,3-diphenyl-1,2,4-trioxolane.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3,3-diphenyl-1,2,4-trioxolane
PubChem CID14809978
Molecular FormulaC20H15ClO3
Molecular Weight338.79 g/mol
Exact Mass338.07
IUPAC Name5-(4-chlorophenyl)-3,3-diphenyl-1,2,4-trioxolane
SMILESClc1ccc(C2OOC(c3ccccc3)(c3ccccc3)O2)cc1
InChIInChI=1S/C20H15ClO3/c21-18-13-11-15(12-14-18)19-22-20(24-23-19,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,19H
InChIKeyYHPKCBPOIISZGD-UHFFFAOYSA-N
XLogP5.22
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.79
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)-1,2-dioxaspiro[3.3]heptane
CID 56927325
1-chloro-4-(1,2-diphenylcyclopropyl)benzene
CID 166440166
(2R,3S)-5,6,8,9-tetrachloro-3-(4-chlorophenyl)-2-phenyl-1-oxaspiro[3.5]nona-5,8-dien-7-one
CID 100966287
3-(4-chlorophenyl)-5-methyl-2,2-dioxo-5-phenyloxathiazolidin-4-one
CID 10088465
3,3,7-triphenyl-7H-1,2,4-trioxepine
CID 101151117
(1R,4S,5S)-4-(4-chlorophenyl)-1,6-dimethyl-5-phenyl-3-oxa-6-azabicyclo[3.1.0]hexan-2-one
CID 102209411
tert-butyl-[(2S,3R)-3-(4-chlorophenyl)-1,2-diphenylaziridin-2-yl]-dimethylsilane
CID 101359961
1-chloro-4-(2-phenylcyclopropyl)benzene
CID 5162571
(1S,9R)-1-phenyl-10,11,12-trioxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
CID 101035570
benzene;chlorobenzene
CID 159657667
2-(4-chlorophenyl)-4,7-dihydro-1,3-dioxepine
CID 12562263
(3S,7aS)-3-(4-chlorophenyl)-1,1-diphenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazole
CID 101258147

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3,3-diphenyl-1,2,4-trioxolane?
The IUPAC name of 5-(4-chlorophenyl)-3,3-diphenyl-1,2,4-trioxolane (CID 14809978) is 5-(4-chlorophenyl)-3,3-diphenyl-1,2,4-trioxolane.
What is the SMILES notation for 5-(4-chlorophenyl)-3,3-diphenyl-1,2,4-trioxolane?
The canonical SMILES for 5-(4-chlorophenyl)-3,3-diphenyl-1,2,4-trioxolane is Clc1ccc(C2OOC(c3ccccc3)(c3ccccc3)O2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-3,3-diphenyl-1,2,4-trioxolane?
The InChIKey is YHPKCBPOIISZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClO3/c21-18-13-11-15(12-14-18)19-22-20(24-23-19,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,19H.
What are the key properties of 5-(4-chlorophenyl)-3,3-diphenyl-1,2,4-trioxolane?
5-(4-chlorophenyl)-3,3-diphenyl-1,2,4-trioxolane has a molecular weight of 338.79 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3,3-diphenyl-1,2,4-trioxolane is sourced from PubChem (CID 14809978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).