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Molecule
3,4-Dihydro-6-Hydroxy-1(2H)-Naphthalenone
CAS: 3470-50-6 · C10H10O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3470-50-6
- Molecular Formula
- C10H10O2
- Molecular Mass
- 162.19 g/mol
Identifiers
CAS Registry Number
3470-50-6
SMILES
O=C1CCCc2cc(O)ccc21
InChI Key
FNSQPQKPPGALFA-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O2/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h4-6,11H,1-3H2
Names and Synonyms
- 3,4-Dihydro-6-Hydroxy-1(2H)-Naphthalenone Synonym
- 1(2H)-Naphthalenone, 3,4-dihydro-6-hydroxy- Synonym
- 3,4-Dihydro-6-hydroxy-1(2H)-naphthalenone Synonym
- 6-Hydroxy-1-tetralone Synonym
- 6-Hydroxy-α-tetralone Synonym
- 6-Hydroxy-3,4-dihydronaphthalen-1(2H)-one Synonym
- 3,4-Dihydro-6-hydroxy-1(2H)-Naphthalenone Synonym
- 6-Hydroxy-3,4-dihydro-2H-naphthalen-1-one Synonym
- 6-Hydroxy-3,4-dihydronaphthalene-1(2H)-one Synonym
- 6-Hydroxy-1,2,3,4-tetrahydronaphthalen-1-one Synonym
- 1,2,3,4-Tetrahydro-6-hydroxynaphthyl-1-one Synonym
- 6-Hydroxytetralin-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=C1C2=CC=C(O)C=C2CCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H10O2/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h4-6,11H,1-3H2 | CAS Common Chemistry |
| InChI Key | InChIKey=FNSQPQKPPGALFA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 150 °C | CAS Common Chemistry |
| Name | 3,4-Dihydro-6-hydroxy-1(2H)-naphthalenone | 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
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8
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6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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.
