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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
Names and Synonyms:
N-(4-Ethoxyphenyl)-3-Hydroxy-2-Naphthalenecarboxamide
2-Naphthalenecarboxamide, N-(4-ethoxyphenyl)-3-hydroxy-
2-Naphtho-p-phenetidide, 3-hydroxy-
N-(4-Ethoxyphenyl)-3-hydroxy-2-naphthalenecarboxamide
C.I. 37559
Cibanaphthol RPH
C.I. Azoic Coupling Component 30
C.I. Azoic Coupling Component 46
Naphthol AS-VL
3-Hydroxy-2-naphtho-p-phenetidide
4′-Ethoxy-3-hydroxy-2-naphthanilide
NSC 50690
Dycosthol AS-VL
Identifiers:
SMILES:
CCOc1ccc(NC(=O)c2cc3ccccc3cc2O)cc1
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)
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 |
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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 | 307.35 g/mol | CAS Common Chemistry |
| 307.34900000000005 g/mol | RDKit | |
| 307.120843404 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 |
| Molar Refractivity | 91.17700000000004 | RDKit |
