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Molecule
1,1′-Bi-2-Naphthol
CAS: 602-09-5 · C20H14O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 602-09-5
- Molecular Formula
- C20H14O2
- Molecular Mass
- 286.33 g/mol
Identifiers
CAS Registry Number
602-09-5
SMILES
Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12
InChI Key
PPTXVXKCQZKFBN-UHFFFAOYSA-N
InChI
InChI=1S/C20H14O2/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12,21-22H
Names and Synonyms
- 1,1′-Bi-2-Naphthol Synonym
- [1,1′-Binaphthalene]-2,2′-diol Synonym
- 1,1′-Bi-2-naphthol Synonym
- 2,2′-Dihydroxy-1,1′-binaphthyl Synonym
- 2,2′-Dihydroxy-1,1′-dinaphthyl Synonym
- Bis-β-naphthol Synonym
- α-Binaphthyl-2,2′-diol Synonym
- 1,1′-Bis-2-naphthol Synonym
- 2,2′-Dihydroxydinaphthyl Synonym
- 2,2′-Dihydroxy-1,1′-binaphthalene Synonym
- 2,2′-Dinaphthol Synonym
- β-Binaphthol Synonym
- 2,2′-Dihydroxybinaphthalene Synonym
- 1,1′-Binaphthyl-2,2′-diol Synonym
- 1,1′-Bi(β-naphthol) Synonym
- BINOL Synonym
- (±)-[1,1′-Binaphthalene]-2,2′-diol Synonym
- (±)-2,2′-Dihydroxy-1,1′-binaphthyl Synonym
- (±)-Bi-β-naphthol Synonym
- (±)-1,1′-Bi-2-naphthol Synonym
- (±)-2,2′-Dihydroxy-1,1′-dinaphthyl Synonym
- (±)-2,2′-Dihydroxy-1,1′-binaphthalene Synonym
- Racemic 2,2′-dihydroxy-1,1′-binaphthyl Synonym
- (±)-1,1′-Binaphthalene-2,2′-diol Synonym
- (RS)-1,1′-Bi-2-naphthol Synonym
- (±)-Binol Synonym
- (±)-1,1′-Binaphthyl-2,2′-diol Synonym
- NSC 27049 Synonym
- (RS)-1,1′-Bi-2,2′-naphthol Synonym
- Rac-2,2′-dihydroxy-1,1′-binaphthyl Synonym
- (±)-1,1′-Bis(2-naphthol) Synonym
- 1-(2-Hydroxynaphthalen-1-yl)naphthalen-2-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 286.33 g/mol | CAS Common Chemistry |
| Wikipedia Url | https://en.wikipedia.org/wiki/1,1%E2%80%B2-Bi-2-naphthol | CAS Common Chemistry |
| Canonical SMILES | OC=1C=CC=2C=CC=CC2C1C3=C(O)C=CC=4C=CC=CC43 | CAS Common Chemistry |
| InChI | InChI=1S/C20H14O2/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12,21-22H | CAS Common Chemistry |
| InChI Key | InChIKey=PPTXVXKCQZKFBN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 219 °C | CAS Common Chemistry |
| Name | BINOL | CAS Common Chemistry |
| 1,1′-Bi-2-naphthol | CAS Common Chemistry | |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 40.46 Ų | RDKit |
| LogP | 5.071200000000003 | RDKit |
| 5.0712 | RDKit | |
| Molar Refractivity | 90.21960000000001 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 286.099379688 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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.
External Resources
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MW = 286.33 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C20H14O2.
