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Molecule
2-Hydroxy-4-(Methacryloyloxy)Benzophenone
CAS: 2035-72-5 · C17H14O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2035-72-5
- Molecular Formula
- C17H14O4
- Molecular Mass
- 282.29 g/mol
Identifiers
CAS Registry Number
2035-72-5
SMILES
C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O)c1
InChI Key
IMNBHNRXUAJVQE-UHFFFAOYSA-N
InChI
InChI=1S/C17H14O4/c1-11(2)17(20)21-13-8-9-14(15(18)10-13)16(19)12-6-4-3-5-7-12/h3-10,18H,1H2,2H3
Names and Synonyms
- 2-Hydroxy-4-(Methacryloyloxy)Benzophenone Synonym
- 2-Propenoic acid, 2-methyl-, 4-benzoyl-3-hydroxyphenyl ester Synonym
- Methacrylic acid, 4-ester with 2,4-dihydroxybenzophenone Synonym
- Methacrylic acid, 4-benzoyl-3-hydroxyphenyl ester Synonym
- Benzophenone, 2,4-dihydroxy-, 4-methacrylate Synonym
- 2-Hydroxy-4-(methacryloyloxy)benzophenone Synonym
- (3-Hydroxy-4-benzoyl)phenyl methacrylate Synonym
- 4-Methacryloyloxy-2-hydroxybenzophenone Synonym
- 4-Methacryloxy-2-hydroxybenzophenone Synonym
- 2-Methyl-acrylic acid 4-benzoyl-3-hydroxy-phenyl ester Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 282.29 g/mol | CAS Common Chemistry |
| 282.29499999999996 g/mol | RDKit | |
| 282.295 g/mol | RDKit | |
| Canonical SMILES | O=C(OC1=CC=C(C(O)=C1)C(=O)C=2C=CC=CC2)C(=C)C | CAS Common Chemistry |
| InChI | InChI=1S/C17H14O4/c1-11(2)17(20)21-13-8-9-14(15(18)10-13)16(19)12-6-4-3-5-7-12/h3-10,18H,1H2,2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=IMNBHNRXUAJVQE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 77-78 °C @ Solvent: Ethanol, 95% | CAS Common Chemistry |
| Name | 2-Hydroxy-4-(methacryloyloxy)benzophenone | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 63.60000000000001 Ų | RDKit |
| 63.6 Ų | RDKit | |
| LogP | 3.104700000000002 | RDKit |
| 3.1047 | RDKit | |
| Molar Refractivity | 78.43030000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0588 | RDKit |
| 0.06 | chempirical lib | |
| Exact Mass | 282.089208928 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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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.
External Resources
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MW = 282.29 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C17H14O4.
