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1-Benzyl-1H-Indazol-3-Ol
CAS: 2215-63-6 | C14H12N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2215-63-6
Molecular Formula:
C14H12N2O
Molecular Mass:
224.26 g/mol
Names and Synonyms:
1-Benzyl-1H-Indazol-3-Ol
3H-Indazol-3-one, 1,2-dihydro-1-(phenylmethyl)-
1H-Indazol-3-ol, 1-benzyl-
3-Indazolinone, 1-benzyl-
1,2-Dihydro-1-(phenylmethyl)-3H-indazol-3-one
1-Benzyl-3-hydroxy-1H-indazole
1-Benzyl-3-hydroxyindazole
1-Benzyl-1H-indazolone
1-Benzyl-1H-indazol-3-ol
3-Hydroxy-1-benzyl-1H-indazole
1-Benzyl-1H-indazol-3-one
1-Benzyl-3-indazolinone
1-Benzyl-3-indazolone
1-Benzyl-1,2-dihydro-3H-indazol-3-one
NSC 247064
1-Benzyl-2H-indazol-3-one
1-Benzyl-1H-indazol-3(2H)-one
1-Benzyl-2,3-dihydro-1H-indazol-3-one
Identifiers:
SMILES:
Oc1nn(Cc2ccccc2)c2ccccc12
InChI:
InChI=1S/C14H12N2O/c17-14-12-8-4-5-9-13(12)16(15-14)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,17)
Key Properties
Melting Point
167 °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 | 224.26 g/mol | CAS Common Chemistry |
| 224.263 g/mol | RDKit | |
| 224.094963004 g/mol | RDKit | |
| Canonical SMILES | O=C1NN(C=2C=CC=CC12)CC=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C14H12N2O/c17-14-12-8-4-5-9-13(12)16(15-14)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,17) | CAS Common Chemistry |
| InChI Key | InChIKey=SXPJFDSMKWLOAB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 167 °C | CAS Common Chemistry |
| Name | 1-Benzyl-1H-indazol-3-ol | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 38.050000000000004 Ų | RDKit |
| LogP | 2.7902000000000013 | RDKit |
| Molar Refractivity | 66.94180000000003 | RDKit |
