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Molecule
2,2'-Biphenol
CAS: 1806-29-7 · C12H10O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1806-29-7
- Molecular Formula
- C12H10O2
- Molecular Mass
- 186.21 g/mol
Identifiers
CAS Registry Number
1806-29-7
SMILES
Oc1ccccc1-c1ccccc1O
InChI Key
IMHDGJOMLMDPJN-UHFFFAOYSA-N
InChI
InChI=1S/C12H10O2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8,13-14H
Names and Synonyms
- 2,2'-Biphenol Synonym
- [1,1′-Biphenyl]-2,2′-diol Synonym
- 2,2′-Biphenyldiol Synonym
- o,o′-Biphenol Synonym
- 2,2′-Dihydroxybiphenyl Synonym
- o,o′-Diphenol Synonym
- 2,2′-Dihydroxydiphenyl Synonym
- 2,2′-Biphenol Synonym
- o,o′-Dihydroxybiphenyl Synonym
- 2,2′-Dihydroxy-1,1′-biphenyl Synonym
- 1,1′-Bi-2-phenol Synonym
- 2,2′-Bisphenol Synonym
- NSC 37068 Synonym
- 2′-Hydroxy-1,1′-biphenyl-2-ol Synonym
- 2-(2-Hydroxyphenyl)phenol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 186.21 g/mol | CAS Common Chemistry |
| 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 |
| 2.7648 | RDKit | |
| Molar Refractivity | 55.20760000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 186.06807956 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 186.21 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H10O2.
