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3-Phenylphenol
CAS: 580-51-8 | C12H10O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
580-51-8
Molecular Formula:
C12H10O
Molecular Mass:
170.21 g/mol
Names and Synonyms:
3-Phenylphenol
[1,1′-Biphenyl]-3-ol
3-Biphenylol
Phenol, m-phenyl-
3-Phenylphenol
m-Hydroxydiphenyl
3-Hydroxybiphenyl
m-Hydroxybiphenyl
m-Phenylphenol
m-Biphenylol
NSC 17588
Identifiers:
SMILES:
Oc1cccc(-c2ccccc2)c1
InChI:
InChI=1S/C12H10O/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,13H
Key Properties
Boiling Point
>300 °C
CAS Common Chemistry
Melting Point
78 °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 | 170.21 g/mol | CAS Common Chemistry |
| 170.211 g/mol | RDKit | |
| 170.07316494 g/mol | RDKit | |
| Boiling Point | >300 °C | CAS Common Chemistry |
| Canonical SMILES | OC1=CC=CC(=C1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H10O/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,13H | CAS Common Chemistry |
| InChI Key | InChIKey=UBXYXCRCOKCZIT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 78 °C | CAS Common Chemistry |
| Name | 3-Phenylphenol | CAS Common Chemistry |
| Heavy Atom Count | 13 | 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 | 3.0592000000000015 | RDKit |
| Molar Refractivity | 53.54280000000003 | RDKit |
