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Molecule
4-Chloro-4′-Hydroxybenzophenone
CAS: 42019-78-3 · C13H9ClO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 42019-78-3
- Molecular Formula
- C13H9ClO2
- Molecular Mass
- 232.67 g/mol
Identifiers
CAS Registry Number
42019-78-3
SMILES
O=C(c1ccc(O)cc1)c1ccc(Cl)cc1
InChI Key
RUETVLNXAGWCDS-UHFFFAOYSA-N
InChI
InChI=1S/C13H9ClO2/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,15H
Names and Synonyms
- 4-Chloro-4′-Hydroxybenzophenone Systematic Name
- 4-(4-Chlorobenzoyl)phenol Synonym
- Methanone, (4-chlorophenyl)(4-hydroxyphenyl)- Synonym
- Benzophenone, 4-chloro-4′-hydroxy- Synonym
- (4-Chlorophenyl)(4-hydroxyphenyl)methanone Synonym
- 4-Hydroxy-4′-chlorobenzophenone Synonym
- 4-p-Chlorobenzoylphenol Synonym
- 4-Chloro-4′-hydroxybenzophenone Synonym
- 1-(4-Chlorophenyl)-1-(4-hydroxyphenyl)methanone Synonym
- 4′-Chloro-4-hydroxybenzophenone Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 232.67 g/mol | CAS Common Chemistry |
| 232.666 g/mol | RDKit | |
| 232.663 g/mol | chempirical lib | |
| Canonical SMILES | O=C(C1=CC=C(Cl)C=C1)C2=CC=C(O)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H9ClO2/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,15H | CAS Common Chemistry |
| InChI Key | InChIKey=RUETVLNXAGWCDS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 179 °C | CAS Common Chemistry |
| Name | 4-Chloro-4′-hydroxybenzophenone | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 3.276600000000001 | RDKit |
| 3.2766 | RDKit | |
| Molar Refractivity | 62.991300000000024 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 232.029107208 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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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.
External Resources
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MW = 232.67 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H9ClO2.
