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Molecule
4-Hydroxybenzophenone
CAS: 1137-42-4 · C13H10O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1137-42-4
- Molecular Formula
- C13H10O2
- Molecular Mass
- 198.22 g/mol
Identifiers
CAS Registry Number
1137-42-4
SMILES
O=C(c1ccccc1)c1ccc(O)cc1
InChI Key
NPFYZDNDJHZQKY-UHFFFAOYSA-N
InChI
InChI=1S/C13H10O2/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,14H
Names and Synonyms
- 4-Hydroxybenzophenone Systematic Name
- Methanone, (4-hydroxyphenyl)phenyl- Synonym
- Benzophenone, 4-hydroxy- Synonym
- Benzophenone, p-hydroxy- Synonym
- (4-Hydroxyphenyl)phenylmethanone Synonym
- p-Hydroxybenzophenone Synonym
- p-Benzoylphenol Synonym
- 4-Benzoylphenol Synonym
- 4-Hydroxybenzophenone Synonym
- 4′-Hydroxybenzophenone Synonym
- 4-Hydroxyphenyl phenyl ketone Synonym
- NSC 1887 Synonym
- N-(4-Hydroxylphenyl)-N′-phenylurea Synonym
- 1-(4-Hydroxyphenyl)-1-phenylmethanone Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Boiling Point | 320-325 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(C=1C=CC=CC1)C2=CC=C(O)C=C2 | CAS Common Chemistry |
| Molecular Mass | 198.22 g/mol | CAS Common Chemistry |
| 198.221 g/mol | RDKit | |
| InChI | InChI=1S/C13H10O2/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,14H | CAS Common Chemistry |
| InChI Key | InChIKey=NPFYZDNDJHZQKY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 132-135 °C | CAS Common Chemistry |
| Name | 4-Hydroxybenzophenone | CAS Common Chemistry |
| Heavy Atom Count | 15 | 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 | 2.6232000000000006 | RDKit |
| 2.6232 | RDKit | |
| Molar Refractivity | 57.981300000000026 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 198.06807956 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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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MW = 198.22 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H10O2.
