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Molecule
1-Naphthol
CAS: 90-15-3 · C10H8O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 90-15-3
- Molecular Formula
- C10H8O
- Molecular Mass
- 144.17 g/mol
Identifiers
CAS Registry Number
90-15-3
SMILES
Oc1cccc2ccccc12
InChI Key
KJCVRFUGPWSIIH-UHFFFAOYSA-N
InChI
InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H
Names and Synonyms
- 1-Naphthol Synonym
- 1-Naphthalenol Synonym
- 1-Naphthol Synonym
- C.I. 76605 Synonym
- BASF Ursol ERN Synonym
- C.I. Oxidation Base 33 Synonym
- Durafur Developer D Synonym
- Fouramine ERN Synonym
- Fourrine 99 Synonym
- Fourrine ERN Synonym
- Furro ER Synonym
- 1-Hydroxynaphthalene Synonym
- α-Hydroxynaphthalene Synonym
- Nako TRB Synonym
- α-Naphthol Synonym
- Tertral ERN Synonym
- Ursol ERN Synonym
- Zoba ERN Synonym
- α-Naphthyl alcohol Synonym
- 1-Naphthyl alcohol Synonym
- Naphthol-1 Synonym
- NSC 9586 Synonym
- Naphthyl-1-ol Synonym
- 5-Hydroxynaphthalene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 144.17 g/mol | CAS Common Chemistry |
| 144.17299999999997 g/mol | RDKit | |
| 144.173 g/mol | RDKit | |
| Density | 1.10 g/cm³ | CAS Common Chemistry |
| 1.0954 g/cm3 @ 98.7 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1-Naphthol | CAS Common Chemistry |
| Boiling Point | 288 °C | CAS Common Chemistry |
| Canonical SMILES | OC1=CC=CC=2C=CC=CC12 | CAS Common Chemistry |
| InChI | InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H | CAS Common Chemistry |
| InChI Key | InChIKey=KJCVRFUGPWSIIH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 96 °C | CAS Common Chemistry |
| Name | 1-Naphthol | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 2.5454000000000008 | RDKit |
| 2.5454 | RDKit | |
| Molar Refractivity | 45.61280000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 144.057514876 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 = 144.17 g/mol; density = 1.100 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H8O.
