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3-Hydroxy-N-(4-Methoxyphenyl)-2-Naphthalenecarboxamide
CAS: 92-79-5 | C18H15NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
92-79-5
Molecular Formula:
C18H15NO3
Molecular Weight:
293.322 g/mol
Names and Synonyms:
3-Hydroxy-N-(4-Methoxyphenyl)-2-Naphthalenecarboxamide
2-Naphthalenecarboxamide, 3-hydroxy-N-(4-methoxyphenyl)-
2-Naphth-p-anisidide, 3-hydroxy-
3-Hydroxy-N-(4-methoxyphenyl)-2-naphthalenecarboxamide
C.I. 37535
Acna Naphthol R
Amanil Naphthol AS-RL
Amarthol AS-RL
Anthonaphthol MRL
Azoground RL
Azoic Coupling Component 11
Azonaphtol PA
Celcot RBL
Cibanaphthol RBL
C.I. Azoic Coupling Component 11
Daito Grounder RL
Hiltonaphthol AS-RL
3-Hydroxy-2-naphth-p-anisidide
N-[2′-Hydroxy-3′-naphthoyl]-4-methoxyaniline
Irganaphthol RBL
Naphtanilide RL
Naphtanilide RL Supra
Naphtazol RL
Naphthanil RL
Naphthoide RL
Naphthol AS-RL Dispersible
Naphthol AS-RL Supra
Naphtoelan RL
Naphtol AS-RL
Naphtol AS-RL Supra
Sanatol RL
Solunaptol PAL
Azotol PA
Naphthol AS-RL
2-Hydroxy-3-[(4-methoxyphenyl)carbamoyl]naphthalene
2-Hydroxy-3-naphth-p-anisidide
3-Hydroxy-4′-methoxy-2-naphthanilide
N-(p-Methoxyphenyl)-3-hydroxynaphthalene-2-carbonamide
Naphthol RL
NSC 37613
Anarthol AS-RL
Conazoic AA
Dycosthol AS-RL
Napthol ASRL
Kiwa Grounder RL
Naftol AS-RL
Identifiers:
SMILES:
COc1ccc(NC(=O)c2cc3ccccc3cc2O)cc1
InChI:
InChI=1S/C18H15NO3/c1-22-15-8-6-14(7-9-15)19-18(21)16-10-12-4-2-3-5-13(12)11-17(16)20/h2-11,20H,1H3,(H,19,21)
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 293.32 g/mol | Legacy Database |
| cas-canonical-smile | O=C(NC1=CC=C(OC)C=C1)C2=CC=3C=CC=CC3C=C2O None | Legacy Database |
| cas-inchi | InChI=1S/C18H15NO3/c1-22-15-8-6-14(7-9-15)19-18(21)16-10-12-4-2-3-5-13(12)11-17(16)20/h2-11,20H,1H3,(H,19,21) None | Legacy Database |
| cas-inchi-key | InChIKey=UIXFPIHXQQZAGX-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 3-Hydroxy-N-(4-methoxyphenyl)-2-naphthalenecarboxamide None | Legacy Database |
| LogP | 3.806300000000002 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 293.322 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 293.10519334 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 22 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 3 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 58.56 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 86.56000000000003 | RDKit |
