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Molecule
4-Methoxy-1-Naphthol
CAS: 84-85-5 · C11H10O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 84-85-5
- Molecular Formula
- C11H10O2
- Molecular Mass
- 174.20 g/mol
Identifiers
CAS Registry Number
84-85-5
SMILES
COc1ccc(O)c2ccccc12
InChI Key
BOTGCZBEERTTDQ-UHFFFAOYSA-N
InChI
InChI=1S/C11H10O2/c1-13-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7,12H,1H3
Names and Synonyms
- 4-Methoxy-1-Naphthol Systematic Name
- 1-Naphthalenol, 4-methoxy- Synonym
- 1-Naphthol, 4-methoxy- Synonym
- 4-Methoxy-1-naphthalenol Synonym
- C.I. 76620 Synonym
- Ursol Grounding Blue BL Synonym
- 4-Methoxy-α-naphthol Synonym
- 4-Methoxy-1-naphthol Synonym
- 1-Hydroxy-4-methoxynaphthalene Synonym
- ET 2111 Synonym
- Walrycin A Synonym
- Quino Power MNT Synonym
- QS 30 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 174.20 g/mol | CAS Common Chemistry |
| 174.19899999999998 g/mol | RDKit | |
| 174.199 g/mol | RDKit | |
| Canonical SMILES | OC1=CC=C(OC)C=2C=CC=CC12 | CAS Common Chemistry |
| InChI | InChI=1S/C11H10O2/c1-13-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7,12H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BOTGCZBEERTTDQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 124-125 °C @ Solvent: Ligroine, Diethyl ether | CAS Common Chemistry |
| Name | 4-Methoxy-1-naphthol | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 29.46 Ų | RDKit |
| LogP | 2.5540000000000003 | RDKit |
| 2.554 | RDKit | |
| Molar Refractivity | 52.16480000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0909 | RDKit |
| 0.09 | chempirical lib | |
| Exact Mass | 174.06807956 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
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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 = 174.20 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H10O2.
