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Molecule
2-(4-Benzoyl-3-Hydroxyphenoxy)Ethyl Acrylate
CAS: 16432-81-8 · C18H16O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 16432-81-8
- Molecular Formula
- C18H16O5
- Molecular Mass
- 312.32 g/mol
Identifiers
CAS Registry Number
16432-81-8
SMILES
C=CC(=O)OCCOc1ccc(C(=O)c2ccccc2)c(O)c1
InChI Key
NMMXJQKTXREVGN-UHFFFAOYSA-N
InChI
InChI=1S/C18H16O5/c1-2-17(20)23-11-10-22-14-8-9-15(16(19)12-14)18(21)13-6-4-3-5-7-13/h2-9,12,19H,1,10-11H2
Names and Synonyms
- 2-(4-Benzoyl-3-Hydroxyphenoxy)Ethyl Acrylate Systematic Name
- 2-Propenoic acid, 2-(4-benzoyl-3-hydroxyphenoxy)ethyl ester Synonym
- Acrylic acid, 4-ester with 2-hydroxy-4-(2-hydroxyethoxy)benzophenone Synonym
- Benzophenone, 2-hydroxy-4-(2-hydroxyethoxy)-, 4-acrylate Synonym
- Cyasorb UV 209 Synonym
- Cyasorb UV 2098 Synonym
- 4-(2-Acryloyloxyethoxy)-2-hydroxybenzophenone Synonym
- UV 2098 Synonym
- Cyasorb UV 416 Synonym
- UV 416 Synonym
- 2-(4-Benzoyl-3-hydroxyphenoxy)ethyl acrylate Synonym
- 4-(2-Acryloxyethoxy)-2-hydroxybenzophenone Synonym
- 2-Hydroxy-4-acryloxyethoxybenzophenone Synonym
- 2-(4-Benzoyl-3-hydroxyphenoxy)ethyl acrylate ester Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 312.32 g/mol | CAS Common Chemistry |
| 312.321 g/mol | RDKit | |
| Canonical SMILES | O=C(OCCOC1=CC=C(C(O)=C1)C(=O)C=2C=CC=CC2)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C18H16O5/c1-2-17(20)23-11-10-22-14-8-9-15(16(19)12-14)18(21)13-6-4-3-5-7-13/h2-9,12,19H,1,10-11H2 | CAS Common Chemistry |
| InChI Key | InChIKey=NMMXJQKTXREVGN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-(4-Benzoyl-3-hydroxyphenoxy)ethyl acrylate | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 72.83 Ų | RDKit |
| LogP | 2.731200000000001 | RDKit |
| 2.7312 | RDKit | |
| Molar Refractivity | 84.63230000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1111 | RDKit |
| 0.11 | chempirical lib | |
| Exact Mass | 312.099773612 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 = 312.32 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C18H16O5.
