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Molecule
5-Hydroxy-1-Tetralone
CAS: 28315-93-7 · C10H10O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 28315-93-7
- Molecular Formula
- C10H10O2
- Molecular Mass
- 162.19 g/mol
Identifiers
CAS Registry Number
28315-93-7
SMILES
O=C1CCCc2c(O)cccc21
InChI Key
YPPZCRZRQHFRBH-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1,3,5,11H,2,4,6H2
Names and Synonyms
- 5-Hydroxy-1-Tetralone Systematic Name
- 1(2H)-Naphthalenone, 3,4-dihydro-5-hydroxy- Synonym
- 3,4-Dihydro-5-hydroxy-1(2H)-naphthalenone Synonym
- 5-Hydroxy-1-tetralone Synonym
- 5-Hydroxytetralone Synonym
- 5-Hydroxy-α-tetralone Synonym
- 5-Hydroxy-3,4-dihydro-1(2H)-naphthalenone Synonym
- 1,2,3,4-Tetrahydro-1-oxo-5-hydroxynaphthalene Synonym
- 5-Hydroxy-3,4-dihydro-2H-naphthalen-1-one Synonym
- 5-Hydroxy-1,2,3,4-tetrahydronaphthalen-1-one Synonym
- 1,2,3,4-Tetrahydro-5-hydroxynaphthyl-1-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 162.19 g/mol | CAS Common Chemistry |
| 162.188 g/mol | RDKit | |
| Canonical SMILES | O=C1C=2C=CC=C(O)C2CCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H10O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1,3,5,11H,2,4,6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=YPPZCRZRQHFRBH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 210-211.5 °C | CAS Common Chemistry |
| Name | 5-Hydroxy-1-tetralone | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 1.9112 | RDKit |
| Molar Refractivity | 45.375300000000024 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3 | RDKit |
| Exact Mass | 162.06807956 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 162.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H10O2.
