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2,2'-Biphenol
CAS: 1806-29-7 | C12H10O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1806-29-7
Molecular Formula:
C12H10O2
Molecular Mass:
186.21 g/mol
Names and Synonyms:
2,2'-Biphenol
[1,1′-Biphenyl]-2,2′-diol
2,2′-Biphenyldiol
o,o′-Biphenol
2,2′-Dihydroxybiphenyl
o,o′-Diphenol
2,2′-Dihydroxydiphenyl
2,2′-Biphenol
o,o′-Dihydroxybiphenyl
2,2′-Dihydroxy-1,1′-biphenyl
1,1′-Bi-2-phenol
2,2′-Bisphenol
NSC 37068
2′-Hydroxy-1,1′-biphenyl-2-ol
2-(2-Hydroxyphenyl)phenol
Identifiers:
SMILES:
Oc1ccccc1-c1ccccc1O
InChI:
InChI=1S/C12H10O2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8,13-14H
Key Properties
Boiling Point
320 °C
CAS Common Chemistry
Melting Point
109 °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 | 186.21 g/mol | CAS Common Chemistry |
| 186.06807956 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2,2%27-Biphenol | CAS Common Chemistry |
| Boiling Point | 320 °C | CAS Common Chemistry |
| Canonical SMILES | OC=1C=CC=CC1C=2C=CC=CC2O | CAS Common Chemistry |
| InChI | InChI=1S/C12H10O2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8,13-14H | CAS Common Chemistry |
| InChI Key | InChIKey=IMHDGJOMLMDPJN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 109 °C | CAS Common Chemistry |
| Name | [1,1′-Biphenyl]-2,2′-diol | CAS Common Chemistry |
| 2,2'-Biphenol | CAS Common Chemistry | |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 40.46 Ų | RDKit |
| LogP | 2.7648000000000015 | RDKit |
| Molar Refractivity | 55.20760000000003 | RDKit |
