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N-(2,5-Dimethoxyphenyl)-3-Hydroxy-2-Naphthalenecarboxamide
CAS: 92-73-9 | C19H17NO4
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
92-73-9
Molecular Formula:
C19H17NO4
Molecular Mass:
323.35 g/mol
Names and Synonyms:
N-(2,5-Dimethoxyphenyl)-3-Hydroxy-2-Naphthalenecarboxamide
2-Naphthalenecarboxamide, N-(2,5-dimethoxyphenyl)-3-hydroxy-
2-Naphthanilide, 3-hydroxy-2′,5′-dimethoxy-
N-(2,5-Dimethoxyphenyl)-3-hydroxy-2-naphthalenecarboxamide
Brenthol FO
3-Hydroxy-2′,5′-dimethoxy-2-naphthanilide
Naphtol AS-BG
Naphtol AS-BG Supra
Sanatol BG
Solunaptol FOL
Tulathol AS-BG
Naphthol AS-BG
C.I. Azoic Coupling Component 19
NSC 37618
Identifiers:
SMILES:
COc1ccc(OC)c(N=C(O)c2cc3ccccc3cc2O)c1
InChI:
InChI=1S/C19H17NO4/c1-23-14-7-8-18(24-2)16(11-14)20-19(22)15-9-12-5-3-4-6-13(12)10-17(15)21/h3-11,21H,1-2H3,(H,20,22)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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120
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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 | 323.35 g/mol | CAS Common Chemistry |
| 323.34800000000007 g/mol | RDKit | |
| 323.115758024 g/mol | RDKit | |
| Canonical SMILES | O=C(NC1=CC(OC)=CC=C1OC)C2=CC=3C=CC=CC3C=C2O | CAS Common Chemistry |
| InChI | InChI=1S/C19H17NO4/c1-23-14-7-8-18(24-2)16(11-14)20-19(22)15-9-12-5-3-4-6-13(12)10-17(15)21/h3-11,21H,1-2H3,(H,20,22) | CAS Common Chemistry |
| InChI Key | InChIKey=LAKNSQZHAUYJJM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-(2,5-Dimethoxyphenyl)-3-hydroxy-2-naphthalenecarboxamide | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 71.28 Ų | RDKit |
| LogP | 4.198900000000004 | RDKit |
| Molar Refractivity | 93.98460000000003 | RDKit |
