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5,8-Dihydro-1-Naphthol
CAS: 27673-48-9 | C10H10O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
27673-48-9
Molecular Formula:
C10H10O
Molecular Weight:
146.189 g/mol
Names and Synonyms:
5,8-Dihydro-1-Naphthol
5,8-Dihydronaphthalen-1-ol
5-Hydroxy-1,4-dihydronaphthalene
NSC 125584
5,8-Dihydro-1-naphthol
5,8-Dihydro-1-naphthalenol
1-Naphthol, 5,8-dihydro-
1-Naphthalenol, 5,8-dihydro-
Identifiers:
SMILES:
Oc1cccc2c1CC=CC2
InChI:
InChI=1S/C10H10O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-3,5,7,11H,4,6H2
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 146.19 g/mol | Legacy Database |
| cas-boiling-point | 120 °C @ Press: 1 Torr None | Legacy Database |
| cas-canonical-smile | OC1=CC=CC2=C1CC=CC2 None | Legacy Database |
| cas-inchi | InChI=1S/C10H10O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-3,5,7,11H,4,6H2 None | Legacy Database |
| cas-inchi-key | InChIKey=OAHLLHJOPUWLKW-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 75 °C None | Legacy Database |
| cas-name | 5,8-Dihydro-1-naphthol None | Legacy Database |
| LogP | 2.0469999999999997 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 146.189 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 146.07316494 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 11 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 20.23 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 44.654800000000016 | RDKit |
