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Molecule
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
Identifiers
CAS Registry Number
1079-21-6
SMILES
Oc1ccc(O)c(-c2ccccc2)c1
InChI Key
XCZKKZXWDBOGPA-UHFFFAOYSA-N
InChI
InChI=1S/C12H10O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8,13-14H
Names and Synonyms
- Phenylhydroquinone Synonym
- NSC 407988 Synonym
- 2-Phenyl-4-hydroxyphenol Synonym
- [1,1′-Biphenyl]-2,5-diol Synonym
- 2,5-Biphenyldiol Synonym
- Hydroquinone, phenyl- Synonym
- 2,5-Dihydroxybiphenyl Synonym
- Phenylhydroquinone Synonym
- 1,4-Benzenediol, phenyl- Synonym
- 2-Phenylhydroquinone Synonym
- 2-Phenyl-1,4-benzenediol Synonym
- 2-Phenyl-1,4-dihydroxybenzene Synonym
- 2-Phenyl-1,4-hydroquinone Synonym
- 1,4-Dihydroxy-2-phenylbenzene Synonym
- Phenyl-p-hydroquinone Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 186.21 g/mol | CAS Common Chemistry |
| 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 |
| 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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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
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.
