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Molecule
N-(4-Ethoxyphenyl)-3-Hydroxy-2-Naphthalenecarboxamide
CAS: 4711-68-6 · C19H17NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 4711-68-6
- Molecular Formula
- C19H17NO3
- Molecular Mass
- 307.35 g/mol
Identifiers
CAS Registry Number
4711-68-6
SMILES
CCOc1ccc(NC(=O)c2cc3ccccc3cc2O)cc1
InChI Key
FYJKEJZGNQVNLC-UHFFFAOYSA-N
InChI
InChI=1S/C19H17NO3/c1-2-23-16-9-7-15(8-10-16)20-19(22)17-11-13-5-3-4-6-14(13)12-18(17)21/h3-12,21H,2H2,1H3,(H,20,22)
Names and Synonyms
- N-(4-Ethoxyphenyl)-3-Hydroxy-2-Naphthalenecarboxamide Synonym
- 2-Naphthalenecarboxamide, N-(4-ethoxyphenyl)-3-hydroxy- Synonym
- 2-Naphtho-p-phenetidide, 3-hydroxy- Synonym
- N-(4-Ethoxyphenyl)-3-hydroxy-2-naphthalenecarboxamide Synonym
- C.I. 37559 Synonym
- Cibanaphthol RPH Synonym
- C.I. Azoic Coupling Component 30 Synonym
- C.I. Azoic Coupling Component 46 Synonym
- Naphthol AS-VL Synonym
- 3-Hydroxy-2-naphtho-p-phenetidide Synonym
- 4′-Ethoxy-3-hydroxy-2-naphthanilide Synonym
- NSC 50690 Synonym
- Dycosthol AS-VL Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 307.35 g/mol | CAS Common Chemistry |
| 307.34900000000005 g/mol | RDKit | |
| 307.349 g/mol | RDKit | |
| Canonical SMILES | O=C(NC1=CC=C(OCC)C=C1)C2=CC=3C=CC=CC3C=C2O | CAS Common Chemistry |
| InChI | InChI=1S/C19H17NO3/c1-2-23-16-9-7-15(8-10-16)20-19(22)17-11-13-5-3-4-6-14(13)12-18(17)21/h3-12,21H,2H2,1H3,(H,20,22) | CAS Common Chemistry |
| InChI Key | InChIKey=FYJKEJZGNQVNLC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-(4-Ethoxyphenyl)-3-hydroxy-2-naphthalenecarboxamide | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 58.56 Ų | RDKit |
| LogP | 4.196400000000002 | RDKit |
| 4.1964 | RDKit | |
| Molar Refractivity | 91.17700000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1053 | RDKit |
| 0.11 | chempirical lib | |
| Exact Mass | 307.120843404 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.
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MW = 307.35 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C19H17NO3.
