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Molecule
3-Hydroxy-N-(4-Methoxyphenyl)-2-Naphthalenecarboxamide
CAS: 92-79-5 · C18H15NO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 92-79-5
- Molecular Formula
- C18H15NO3
- Molecular Mass
- 293.32 g/mol
Identifiers
CAS Registry Number
92-79-5
SMILES
COc1ccc(NC(=O)c2cc3ccccc3cc2O)cc1
InChI Key
UIXFPIHXQQZAGX-UHFFFAOYSA-N
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)
Names and Synonyms
- 3-Hydroxy-N-(4-Methoxyphenyl)-2-Naphthalenecarboxamide Synonym
- 2-Naphthalenecarboxamide, 3-hydroxy-N-(4-methoxyphenyl)- Synonym
- 2-Naphth-p-anisidide, 3-hydroxy- Synonym
- 3-Hydroxy-N-(4-methoxyphenyl)-2-naphthalenecarboxamide Synonym
- C.I. 37535 Synonym
- Acna Naphthol R Synonym
- Amanil Naphthol AS-RL Synonym
- Amarthol AS-RL Synonym
- Anthonaphthol MRL Synonym
- Azoground RL Synonym
- Azoic Coupling Component 11 Synonym
- Azonaphtol PA Synonym
- Celcot RBL Synonym
- Cibanaphthol RBL Synonym
- C.I. Azoic Coupling Component 11 Synonym
- Daito Grounder RL Synonym
- Hiltonaphthol AS-RL Synonym
- 3-Hydroxy-2-naphth-p-anisidide Synonym
- N-[2′-Hydroxy-3′-naphthoyl]-4-methoxyaniline Synonym
- Irganaphthol RBL Synonym
- Naphtanilide RL Synonym
- Naphtanilide RL Supra Synonym
- Naphtazol RL Synonym
- Naphthanil RL Synonym
- Naphthoide RL Synonym
- Naphthol AS-RL Dispersible Synonym
- Naphthol AS-RL Supra Synonym
- Naphtoelan RL Synonym
- Naphtol AS-RL Synonym
- Naphtol AS-RL Supra Synonym
- Sanatol RL Synonym
- Solunaptol PAL Synonym
- Azotol PA Synonym
- Naphthol AS-RL Synonym
- 2-Hydroxy-3-[(4-methoxyphenyl)carbamoyl]naphthalene Synonym
- 2-Hydroxy-3-naphth-p-anisidide Synonym
- 3-Hydroxy-4′-methoxy-2-naphthanilide Synonym
- N-(p-Methoxyphenyl)-3-hydroxynaphthalene-2-carbonamide Synonym
- Naphthol RL Synonym
- NSC 37613 Synonym
- Anarthol AS-RL Synonym
- Conazoic AA Synonym
- Dycosthol AS-RL Synonym
- Napthol ASRL Synonym
- Kiwa Grounder RL Synonym
- Naftol AS-RL Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 293.32 g/mol | CAS Common Chemistry |
| 293.322 g/mol | RDKit | |
| Canonical SMILES | O=C(NC1=CC=C(OC)C=C1)C2=CC=3C=CC=CC3C=C2O | CAS Common Chemistry |
| 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) | CAS Common Chemistry |
| InChI Key | InChIKey=UIXFPIHXQQZAGX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3-Hydroxy-N-(4-methoxyphenyl)-2-naphthalenecarboxamide | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 58.56 Ų | RDKit |
| LogP | 3.806300000000002 | RDKit |
| 3.8063 | RDKit | |
| Molar Refractivity | 86.56000000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0556 | RDKit |
| 0.06 | chempirical lib | |
| Exact Mass | 293.10519334 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| 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 = 293.32 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C18H15NO3.
