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Molecule
2-Hydroxy-4′-(2-Hydroxyethoxy)-2-Methylpropiophenone
CAS: 106797-53-9 · C12H16O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 106797-53-9
- Molecular Formula
- C12H16O4
- Molecular Mass
- 224.26 g/mol
Identifiers
CAS Registry Number
106797-53-9
SMILES
CC(C)(O)C(=O)c1ccc(OCCO)cc1
InChI Key
GJKGAPPUXSSCFI-UHFFFAOYSA-N
InChI
InChI=1S/C12H16O4/c1-12(2,15)11(14)9-3-5-10(6-4-9)16-8-7-13/h3-6,13,15H,7-8H2,1-2H3
Names and Synonyms
- 2-Hydroxy-4′-(2-Hydroxyethoxy)-2-Methylpropiophenone Systematic Name
- 1-Propanone, 2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methyl- Synonym
- UV 2959 Synonym
- IRG 2959 Synonym
- 2-Hydroxy-4′-hydroxyethoxy-2-methylpropiophenone Synonym
- Photoinitiator 2959 Synonym
- 2-Hydroxy-2-methyl-1-[4-(2-hydroxyethoxy)phenyl]propan-1-one Synonym
- Photoinitiator 659 Synonym
- Irgacure I 2959 Synonym
- 3-[4-(2-Hydroxyethoxy)phenyl]-2-methyl-3-oxopropan-2-ol Synonym
- IC 2959 Synonym
- JRCure 1113 Synonym
- Omnirad 2959 Synonym
- Gencure 2959 Synonym
- Irgacure D 2959 Synonym
- 2-Hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methyl-1-propanone Synonym
- Darocur 2959 Synonym
- ZLI 2959 Synonym
- Irgacure 2959 Synonym
- Darocur 2595 Synonym
- 4-(2-Hydroxyethoxy)phenyl 2-hydroxy-2-propyl ketone Synonym
- 1-[4-(2-Hydroxyethoxy)phenyl]-2-hydroxy-2-methyl-1-propanone Synonym
- 2-Hydroxy-4′-(2-hydroxyethoxy)-2-methylpropiophenone Synonym
- D 2959 Synonym
- DC 2959 Synonym
- I 2959 Synonym
- 1-[4-(2-Hydroxyethoxy)phenyl]-2-hydroxy-2-methyl-1-propan-1-one Synonym
- IRGC 2959 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 224.26 g/mol | CAS Common Chemistry |
| 224.25599999999997 g/mol | RDKit | |
| 224.256 g/mol | RDKit | |
| Canonical SMILES | O=C(C1=CC=C(OCCO)C=C1)C(O)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H16O4/c1-12(2,15)11(14)9-3-5-10(6-4-9)16-8-7-13/h3-6,13,15H,7-8H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GJKGAPPUXSSCFI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Hydroxy-4′-(2-hydroxyethoxy)-2-methylpropiophenone | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 66.76 Ų | RDKit |
| LogP | 1.0112999999999999 | RDKit |
| 1.0113 | RDKit | |
| Molar Refractivity | 59.65110000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4167 | RDKit |
| 0.42 | chempirical lib | |
| Exact Mass | 224.104858992 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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 = 224.26 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H16O4.
