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2-Hydroxybenzophenone
CAS: 117-99-7 | C13H10O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
117-99-7
Molecular Formula:
C13H10O2
Molecular Mass:
198.22 g/mol
Names and Synonyms:
2-Hydroxybenzophenone
Methanone, (2-hydroxyphenyl)phenyl-
Benzophenone, 2-hydroxy-
(2-Hydroxyphenyl)phenylmethanone
2-Hydroxybenzophenone
o-Hydroxybenzophenone
o-Benzoylphenol
Phenyl 2-hydroxyphenyl ketone
2′-Hydroxybenzophenone
o-Hydroxyphenyl phenyl ketone
2-Benzoylphenol
NSC 623
UVA 635LP
Identifiers:
SMILES:
O=C(c1ccccc1)c1ccccc1O
InChI:
InChI=1S/C13H10O2/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9,14H
Key Properties
Boiling Point
250 °C
CAS Common Chemistry
Melting Point
40 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 198.22 g/mol | CAS Common Chemistry |
| 198.221 g/mol | RDKit | |
| 198.06807956 g/mol | RDKit | |
| Boiling Point | 250 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(C=1C=CC=CC1)C=2C=CC=CC2O | CAS Common Chemistry |
| InChI | InChI=1S/C13H10O2/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9,14H | CAS Common Chemistry |
| InChI Key | InChIKey=HJIAMFHSAAEUKR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 40 °C | CAS Common Chemistry |
| Name | 2-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 | 2.623200000000001 | RDKit |
| Molar Refractivity | 57.981300000000026 | RDKit |
