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4-Methoxy-1-Naphthol
CAS: 84-85-5 | C11H10O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
84-85-5
Molecular Formula:
C11H10O2
Molecular Mass:
174.20 g/mol
Names and Synonyms:
4-Methoxy-1-Naphthol
1-Naphthalenol, 4-methoxy-
1-Naphthol, 4-methoxy-
4-Methoxy-1-naphthalenol
C.I. 76620
Ursol Grounding Blue BL
4-Methoxy-α-naphthol
4-Methoxy-1-naphthol
1-Hydroxy-4-methoxynaphthalene
ET 2111
Walrycin A
Quino Power MNT
QS 30
Identifiers:
SMILES:
COc1ccc(O)c2ccccc12
InChI:
InChI=1S/C11H10O2/c1-13-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7,12H,1H3
Key Properties
Melting Point
124-125 °C @ Solvent: Ligroine, Diethyl ether
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 174.20 g/mol | CAS Common Chemistry |
| 174.19899999999998 g/mol | RDKit | |
| 174.06807956 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 |
| Molar Refractivity | 52.16480000000002 | RDKit |
