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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
Names and Synonyms:
1,1′-Bi-2-Naphthol
[1,1′-Binaphthalene]-2,2′-diol
1,1′-Bi-2-naphthol
2,2′-Dihydroxy-1,1′-binaphthyl
2,2′-Dihydroxy-1,1′-dinaphthyl
Bis-β-naphthol
α-Binaphthyl-2,2′-diol
1,1′-Bis-2-naphthol
2,2′-Dihydroxydinaphthyl
2,2′-Dihydroxy-1,1′-binaphthalene
2,2′-Dinaphthol
β-Binaphthol
2,2′-Dihydroxybinaphthalene
1,1′-Binaphthyl-2,2′-diol
1,1′-Bi(β-naphthol)
BINOL
(±)-[1,1′-Binaphthalene]-2,2′-diol
(±)-2,2′-Dihydroxy-1,1′-binaphthyl
(±)-Bi-β-naphthol
(±)-1,1′-Bi-2-naphthol
(±)-2,2′-Dihydroxy-1,1′-dinaphthyl
(±)-2,2′-Dihydroxy-1,1′-binaphthalene
Racemic 2,2′-dihydroxy-1,1′-binaphthyl
(±)-1,1′-Binaphthalene-2,2′-diol
(RS)-1,1′-Bi-2-naphthol
(±)-Binol
(±)-1,1′-Binaphthyl-2,2′-diol
NSC 27049
(RS)-1,1′-Bi-2,2′-naphthol
Rac-2,2′-dihydroxy-1,1′-binaphthyl
(±)-1,1′-Bis(2-naphthol)
1-(2-Hydroxynaphthalen-1-yl)naphthalen-2-ol
Identifiers:
SMILES:
Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12
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
Key Properties
Melting Point
219 °C
CAS Common Chemistry
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 |
|---|
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 | 286.33 g/mol | CAS Common Chemistry |
| 286.099379688 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 90.21960000000001 | RDKit |
