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4′-Fluoro[1,1′-Biphenyl]-4-Ol
CAS: 324-94-7 | C12H9FO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
324-94-7
Molecular Formula:
C12H9FO
Molecular Mass:
188.20 g/mol
Names and Synonyms:
4′-Fluoro[1,1′-Biphenyl]-4-Ol
[1,1′-Biphenyl]-4-ol, 4′-fluoro-
4-Biphenylol, 4′-fluoro-
4′-Fluoro[1,1′-biphenyl]-4-ol
4-(p-Fluorophenyl)phenol
4-(4-Fluorophenyl)phenol
4-Fluoro-4′-hydroxybiphenyl
NSC 403046
4′-Fluorobiphenyl-4-ol
4′-Fluoro-1,1′-biphenyl-4-ol
Identifiers:
SMILES:
Oc1ccc(-c2ccc(F)cc2)cc1
InChI:
InChI=1S/C12H9FO/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,14H
Key Properties
Melting Point
167-168 °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 | 188.20 g/mol | CAS Common Chemistry |
| 188.201 g/mol | RDKit | |
| 188.063743128 g/mol | RDKit | |
| Canonical SMILES | FC=1C=CC(=CC1)C2=CC=C(O)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H9FO/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,14H | CAS Common Chemistry |
| InChI Key | InChIKey=QSJNKJGPJVOGPK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 167-168 °C | CAS Common Chemistry |
| Name | 4′-Fluoro[1,1′-biphenyl]-4-ol | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 3.1983000000000015 | RDKit |
| Molar Refractivity | 53.50080000000003 | RDKit |
