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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
Names and Synonyms:
2Phz
1H-Imidazole-4,5-dimethanol, 2-phenyl-
2-Phenyl-1H-imidazole-4,5-dimethanol
4,5-Bis(hydroxymethyl)-2-phenylimidazole
Curezol 2PHZ
2PHZ
4,5-Dihydroxymethyl-2-phenylimidazole
2-Phenyl-4,5-dihydroxymethylimidazole
2PHZ-PW
2-Phenyl-4,5-bis(hydroxymethyl)imidazole
Curezol 2PHZ-PW
[4-(Hydroxymethyl)-2-phenyl-1H-imidazol-5-yl]methanol
Identifiers:
SMILES:
OCc1nc(-c2ccccc2)[nH]c1CO
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)
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 | 204.23 g/mol | CAS Common Chemistry |
| 204.22899999999998 g/mol | RDKit | |
| 204.089877624 g/mol | RDKit | |
| 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 |
| LogP | 1.0613 | RDKit |
| Molar Refractivity | 55.869300000000024 | RDKit |
