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Molecule
2Phz
CAS: 61698-32-6 · C11H12N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 61698-32-6
- Molecular Formula
- C11H12N2O2
- Molecular Mass
- 204.23 g/mol
Identifiers
CAS Registry Number
61698-32-6
SMILES
OCc1nc(-c2ccccc2)[nH]c1CO
InChI Key
UUQQGGWZVKUCBD-UHFFFAOYSA-N
InChI
InChI=1S/C11H12N2O2/c14-6-9-10(7-15)13-11(12-9)8-4-2-1-3-5-8/h1-5,14-15H,6-7H2,(H,12,13)
Names and Synonyms
- 2Phz Synonym
- 1H-Imidazole-4,5-dimethanol, 2-phenyl- Synonym
- 2-Phenyl-1H-imidazole-4,5-dimethanol Synonym
- 4,5-Bis(hydroxymethyl)-2-phenylimidazole Synonym
- Curezol 2PHZ Synonym
- 2PHZ Synonym
- 4,5-Dihydroxymethyl-2-phenylimidazole Synonym
- 2-Phenyl-4,5-dihydroxymethylimidazole Synonym
- 2PHZ-PW Synonym
- 2-Phenyl-4,5-bis(hydroxymethyl)imidazole Synonym
- Curezol 2PHZ-PW Synonym
- [4-(Hydroxymethyl)-2-phenyl-1H-imidazol-5-yl]methanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 204.23 g/mol | CAS Common Chemistry |
| 204.22899999999998 g/mol | RDKit | |
| 204.229 g/mol | RDKit | |
| 205.237 g/mol | chempirical lib | |
| Canonical SMILES | OCC=1N=C(NC1CO)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C11H12N2O2/c14-6-9-10(7-15)13-11(12-9)8-4-2-1-3-5-8/h1-5,14-15H,6-7H2,(H,12,13) | CAS Common Chemistry |
| InChI Key | InChIKey=UUQQGGWZVKUCBD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2PHZ | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 69.14 Ų | RDKit |
| 64.82 Ų | chempirical lib | |
| LogP | 1.0613 | RDKit |
| Molar Refractivity | 55.869300000000024 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1818 | RDKit |
| Exact Mass | 204.089877624 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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 = 204.23 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H12N2O2.
