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Molecule
Phenyl 1-Hydroxy-2-Naphthoate
CAS: 132-54-7 · C17H12O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 132-54-7
- Molecular Formula
- C17H12O3
- Molecular Mass
- 264.28 g/mol
Identifiers
CAS Registry Number
132-54-7
SMILES
O=C(Oc1ccccc1)c1ccc2ccccc2c1O
InChI Key
QHDYIMWKSCJTIM-UHFFFAOYSA-N
InChI
InChI=1S/C17H12O3/c18-16-14-9-5-4-6-12(14)10-11-15(16)17(19)20-13-7-2-1-3-8-13/h1-11,18H
Names and Synonyms
- Phenyl 1-Hydroxy-2-Naphthoate Common Name
- 2-Naphthalenecarboxylic acid, 1-hydroxy-, phenyl ester Synonym
- 2-Naphthoic acid, 1-hydroxy-, phenyl ester Synonym
- Phenyl 1-hydroxy-2-naphthalenecarboxylate Synonym
- 1-Hydroxy-2-naphthoic acid phenyl ester Synonym
- Phenyl 1-hydroxy-2-naphthoate Synonym
- 2-Phenoxycarbonyl-1-naphthol Synonym
- HS 1094 Synonym
- Phenyl 1-hydroxy-2-naphthalate Synonym
- NSC 1867 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 264.28 g/mol | CAS Common Chemistry |
| Canonical SMILES | O=C(OC=1C=CC=CC1)C=2C=CC=3C=CC=CC3C2O | CAS Common Chemistry |
| InChI | InChI=1S/C17H12O3/c18-16-14-9-5-4-6-12(14)10-11-15(16)17(19)20-13-7-2-1-3-8-13/h1-11,18H | CAS Common Chemistry |
| InChI Key | InChIKey=QHDYIMWKSCJTIM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Phenyl 1-hydroxy-2-naphthoate | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 46.53 Ų | RDKit |
| LogP | 3.764600000000002 | RDKit |
| 3.7646 | RDKit | |
| Molar Refractivity | 77.01330000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 264.07864424400003 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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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 = 264.28 g/mol. Edit any field — others recompute live.
