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4-Chromanol
CAS: 1481-93-2 | C9H10O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1481-93-2
Molecular Formula:
C9H10O2
Molecular Mass:
150.18 g/mol
Names and Synonyms:
4-Chromanol
2H-1-Benzopyran-4-ol, 3,4-dihydro-
4-Chromanol
3,4-Dihydro-2H-1-benzopyran-4-ol
4-Hydroxychroman
4-Hydroxy-3,4-dihydro-2H-1-benzopyran
3,4-dihydro-2H-1-benzopyran-4-ol
3,4-Dihydro-2H-chromen-4-ol
Identifiers:
SMILES:
OC1CCOc2ccccc21
InChI:
InChI=1S/C9H10O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4,8,10H,5-6H2
Key Properties
Melting Point
41-42 °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 | 150.18 g/mol | CAS Common Chemistry |
| 150.17699999999996 g/mol | RDKit | |
| 150.06807956 g/mol | RDKit | |
| Canonical SMILES | OC1C=2C=CC=CC2OCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H10O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4,8,10H,5-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=MGSHXMOLUWTMGP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 41-42 °C | CAS Common Chemistry |
| Name | 4-Chromanol | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 29.46 Ų | RDKit |
| LogP | 1.5025 | RDKit |
| Molar Refractivity | 41.513800000000025 | RDKit |
