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Molecule
2,2′-[[1,1′-Binaphthalene]-2,2′-Diylbis(Oxy)]Bis[Ethanol]
CAS: 55441-95-7 · C24H22O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 55441-95-7
- Molecular Formula
- C24H22O4
- Molecular Mass
- 374.44 g/mol
Identifiers
CAS Registry Number
55441-95-7
SMILES
OCCOc1ccc2ccccc2c1-c1c(OCCO)ccc2ccccc12
InChI Key
OVJPYIRGUFWANT-UHFFFAOYSA-N
InChI
InChI=1S/C24H22O4/c25-13-15-27-21-11-9-17-5-1-3-7-19(17)23(21)24-20-8-4-2-6-18(20)10-12-22(24)28-16-14-26/h1-12,25-26H,13-16H2
Names and Synonyms
- 2,2′-[[1,1′-Binaphthalene]-2,2′-Diylbis(Oxy)]Bis[Ethanol] Systematic Name
- Ethanol, 2,2′-[[1,1′-binaphthalene]-2,2′-diylbis(oxy)]bis- Synonym
- Ethanol, 2,2′-[[1,1′-binaphthalene]-2,2′-diylbis(oxy)]bis-, (±)- Synonym
- 2,2′-[[1,1′-Binaphthalene]-2,2′-diylbis(oxy)]bis[ethanol] Synonym
- 2,2′-Bis(2-hydroxyethoxy)-1,1′-binaphthalene Synonym
- NSC 245024 Synonym
- TBIS-BNE Synonym
- 1,1′-Bi[2-(2-hydroxyethoxy)naphthalene] Synonym
- 2,2′-Bis(2-hydroxyethoxy)-1,1′-binaphthyl Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 374.44 g/mol | CAS Common Chemistry |
| 374.43600000000004 g/mol | RDKit | |
| 374.436 g/mol | RDKit | |
| Canonical SMILES | OCCOC=1C=CC=2C=CC=CC2C1C3=C(OCCO)C=CC=4C=CC=CC43 | CAS Common Chemistry |
| InChI | InChI=1S/C24H22O4/c25-13-15-27-21-11-9-17-5-1-3-7-19(17)23(21)24-20-8-4-2-6-18(20)10-12-22(24)28-16-14-26/h1-12,25-26H,13-16H2 | CAS Common Chemistry |
| InChI Key | InChIKey=OVJPYIRGUFWANT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 203-205.5 °C | CAS Common Chemistry |
| Name | 2,2′-[[1,1′-Binaphthalene]-2,2′-diylbis(oxy)]bis[ethanol] | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 58.92 Ų | RDKit |
| LogP | 4.402200000000003 | RDKit |
| 4.4022 | RDKit | |
| Molar Refractivity | 112.05160000000002 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1667 | RDKit |
| 0.17 | chempirical lib | |
| Exact Mass | 374.151809184 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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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.
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MW = 374.44 g/mol. Edit any field — others recompute live.
