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Molecule
4-Fluoro-4′-Hydroxybenzophenone
CAS: 25913-05-7 · C13H9FO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 25913-05-7
- Molecular Formula
- C13H9FO2
- Molecular Mass
- 216.21 g/mol
Identifiers
CAS Registry Number
25913-05-7
SMILES
O=C(c1ccc(O)cc1)c1ccc(F)cc1
InChI Key
HLRVUOFDBXRZBI-UHFFFAOYSA-N
InChI
InChI=1S/C13H9FO2/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-Fluoro-4′-Hydroxybenzophenone Synonym
- Methanone, (4-fluorophenyl)(4-hydroxyphenyl)- Synonym
- (4-Fluorophenyl)(4-hydroxyphenyl)methanone Synonym
- p-(4-Fluorobenzoyl)phenol Synonym
- 4-Fluoro-4′-hydroxybenzophenone Synonym
- 4-(p-Fluorobenzoyl)phenol Synonym
- 1-(4-Fluorophenyl)-1-(4-hydroxyphenyl)methanone Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 216.21 g/mol | CAS Common Chemistry |
| 216.21099999999998 g/mol | RDKit | |
| 216.211 g/mol | RDKit | |
| Canonical SMILES | O=C(C1=CC=C(F)C=C1)C2=CC=C(O)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H9FO2/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=HLRVUOFDBXRZBI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-Fluoro-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 | 2.7623000000000006 | RDKit |
| 2.7623 | RDKit | |
| Molar Refractivity | 57.93930000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 216.058657748 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 216.21 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H9FO2.
