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Molecule
4,5-Diphenyl-1,3-Dioxol-2-One
CAS: 21240-34-6 · C15H10O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 21240-34-6
- Molecular Formula
- C15H10O3
- Molecular Mass
- 238.24 g/mol
Identifiers
CAS Registry Number
21240-34-6
SMILES
O=c1oc(-c2ccccc2)c(-c2ccccc2)o1
InChI Key
SROHGOJDCAODGI-UHFFFAOYSA-N
InChI
InChI=1S/C15H10O3/c16-15-17-13(11-7-3-1-4-8-11)14(18-15)12-9-5-2-6-10-12/h1-10H
Names and Synonyms
- 4,5-Diphenyl-1,3-Dioxol-2-One Synonym
- 1,3-Dioxol-2-one, 4,5-diphenyl- Synonym
- Carbonic acid, cyclic diphenylvinylene ester Synonym
- 4,5-Diphenyl-1,3-dioxol-2-one Synonym
- 1,2-Diphenylvinylene carbonate Synonym
- Cyclic diphenylvinylene carbonate Synonym
- Diphenyl-1,3-dioxol-2-one Synonym
- NSC 177493 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 238.24 g/mol | CAS Common Chemistry |
| 238.242 g/mol | RDKit | |
| Canonical SMILES | O=C1OC(C=2C=CC=CC2)=C(O1)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C15H10O3/c16-15-17-13(11-7-3-1-4-8-11)14(18-15)12-9-5-2-6-10-12/h1-10H | CAS Common Chemistry |
| InChI Key | InChIKey=SROHGOJDCAODGI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 74-76 °C @ Solvent: Hexane | CAS Common Chemistry |
| Name | 4,5-Diphenyl-1,3-dioxol-2-one | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 43.35 Ų | RDKit |
| LogP | 3.5668000000000015 | RDKit |
| 3.5668 | RDKit | |
| Molar Refractivity | 68.11600000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 238.06299418 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 238.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H10O3.
