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Phenylhydroquinone
CAS: 1079-21-6 | C12H10O2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
1079-21-6
Molecular Formula:
C12H10O2
Molecular Mass:
186.21 g/mol
Names and Synonyms:
Phenylhydroquinone
NSC 407988
2-Phenyl-4-hydroxyphenol
[1,1′-Biphenyl]-2,5-diol
2,5-Biphenyldiol
Hydroquinone, phenyl-
2,5-Dihydroxybiphenyl
Phenylhydroquinone
1,4-Benzenediol, phenyl-
2-Phenylhydroquinone
2-Phenyl-1,4-benzenediol
2-Phenyl-1,4-dihydroxybenzene
2-Phenyl-1,4-hydroquinone
1,4-Dihydroxy-2-phenylbenzene
Phenyl-p-hydroquinone
Identifiers:
SMILES:
Oc1ccc(O)c(-c2ccccc2)c1
InChI:
InChI=1S/C12H10O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8,13-14H
Key Properties
Melting Point
97 °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 | |
| Canonical SMILES | OC=1C=CC(O)=C(C1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H10O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8,13-14H | CAS Common Chemistry |
| InChI Key | InChIKey=XCZKKZXWDBOGPA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 97 °C | CAS Common Chemistry |
| Name | Phenylhydroquinone | 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 | 2.764800000000001 | RDKit |
| Molar Refractivity | 55.20760000000003 | RDKit |
