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Molecule
Diphenylcyclopropenone
CAS: 886-38-4 · C15H10O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 886-38-4
- Molecular Formula
- C15H10O
- Molecular Mass
- 206.24 g/mol
Identifiers
CAS Registry Number
886-38-4
SMILES
O=c1c(-c2ccccc2)c1-c1ccccc1
InChI Key
HCIBTBXNLVOFER-UHFFFAOYSA-N
InChI
InChI=1S/C15H10O/c16-15-13(11-7-3-1-4-8-11)14(15)12-9-5-2-6-10-12/h1-10H
Names and Synonyms
- Diphenylcyclopropenone Common Name
- 2-Cyclopropen-1-one, 2,3-diphenyl- Synonym
- Cyclopropenone, diphenyl- Synonym
- 2,3-Diphenyl-2-cyclopropen-1-one Synonym
- 2,3-Diphenylcyclopropenone Synonym
- Diphenylcyclopropenone Synonym
- 1,2-Diphenylcyclopropenone Synonym
- Diphencyprone Synonym
- DPC Synonym
- NSC 57541 Synonym
- Diphencyclopropenone Synonym
- Diphenyl cyclopropenone Synonym
- 2,3-Diphenylcycloprop-2-enone Synonym
- 2,3-Diphenyl-cycloprop-2-enone Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 206.24 g/mol | CAS Common Chemistry |
| 206.24399999999997 g/mol | RDKit | |
| 206.244 g/mol | RDKit | |
| 207.252 g/mol | chempirical lib | |
| Density | 1.20 g/cm³ | CAS Common Chemistry |
| 1.202 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diphenylcyclopropenone | CAS Common Chemistry |
| Canonical SMILES | O=C1C(C=2C=CC=CC2)=C1C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C15H10O/c16-15-13(11-7-3-1-4-8-11)14(15)12-9-5-2-6-10-12/h1-10H | CAS Common Chemistry |
| InChI Key | InChIKey=HCIBTBXNLVOFER-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 119 °C | CAS Common Chemistry |
| Name | Diphenylcyclopropenone | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 3.256400000000002 | RDKit |
| 3.2564 | RDKit | |
| Molar Refractivity | 65.95600000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 206.07316494 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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Quick conversion
MW = 206.24 g/mol; density = 1.200 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H10O.
