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Molecule
9,9′-Bis(4-Hydroxyphenyl)Fluorene
CAS: 3236-71-3 · C25H18O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3236-71-3
- Molecular Formula
- C25H18O2
- Molecular Mass
- 350.42 g/mol
Identifiers
CAS Registry Number
3236-71-3
SMILES
Oc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3ccccc32)cc1
InChI Key
YWFPGFJLYRKYJZ-UHFFFAOYSA-N
InChI
InChI=1S/C25H18O2/c26-19-13-9-17(10-14-19)25(18-11-15-20(27)16-12-18)23-7-3-1-5-21(23)22-6-2-4-8-24(22)25/h1-16,26-27H
Names and Synonyms
- 9,9′-Bis(4-Hydroxyphenyl)Fluorene Systematic Name
- Phenol, 4,4′-(9H-fluoren-9-ylidene)bis- Synonym
- 4,4′-(9H-Fluoren-9-ylidene)bis[phenol] Synonym
- 9,9-Bis(p-hydroxyphenyl)fluorene Synonym
- 9,9-Bis(4-hydroxyphenyl)fluorene Synonym
- 4,4′-Fluoren-9-ylidenediphenol Synonym
- 9,9-Bis(4-hydroxyphenyl)-9H-fluorene Synonym
- 4,4′-Fluoren-9-ylidenebisphenol Synonym
- BP-FL 20X Synonym
- BPFL Synonym
- 9,9′-Bis(4-hydroxyphenyl)fluorene Synonym
- BPF Synonym
- BisP-FL Synonym
- 4,4′-(9H-Fluorene-9,9-diyl)bisphenol Synonym
- 4,4′-(9-Fluorenylidene)diphenol Synonym
- 4,4′-(9H-Fluorene-9,9-diyl)diphenol Synonym
- Bisphenol FL Synonym
- Phenol, 4,4′-fluoren-9-ylidenedi- Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 350.42 g/mol | CAS Common Chemistry |
| 350.4170000000001 g/mol | RDKit | |
| 350.417 g/mol | RDKit | |
| Canonical SMILES | OC1=CC=C(C=C1)C2(C3=CC=C(O)C=C3)C=4C=CC=CC4C=5C=CC=CC52 | CAS Common Chemistry |
| InChI | InChI=1S/C25H18O2/c26-19-13-9-17(10-14-19)25(18-11-15-20(27)16-12-18)23-7-3-1-5-21(23)22-6-2-4-8-24(22)25/h1-16,26-27H | CAS Common Chemistry |
| InChI Key | InChIKey=YWFPGFJLYRKYJZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 201-202 °C | CAS Common Chemistry |
| Name | 9,9′-Bis(4-hydroxyphenyl)fluorene | CAS Common Chemistry |
| Heavy Atom Count | 27 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 40.46 Ų | RDKit |
| LogP | 5.460900000000003 | RDKit |
| 5.4609 | RDKit | |
| Molar Refractivity | 107.07560000000001 cm³/mol | RDKit |
| Ring Count | 5 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.04 | RDKit |
| Exact Mass | 350.130679816 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
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MW = 350.42 g/mol. Edit any field — others recompute live.
