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Molecule
9H-Fluorene-9,9-Dimethanol
CAS: 4425-93-8 · C15H14O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4425-93-8
- Molecular Formula
- C15H14O2
- Molecular Mass
- 226.27 g/mol
Identifiers
CAS Registry Number
4425-93-8
SMILES
OCC1(CO)c2ccccc2-c2ccccc21
InChI Key
RHBLISBUFROBBC-UHFFFAOYSA-N
InChI
InChI=1S/C15H14O2/c16-9-15(10-17)13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,16-17H,9-10H2
Names and Synonyms
- 9H-Fluorene-9,9-Dimethanol Synonym
- 9H-Fluorene-9,9-dimethanol Synonym
- Fluorene-9,9-dimethanol Synonym
- 9,9-Bis(hydroxymethyl)fluorene Synonym
- NSC 402230 Synonym
- (9H-Fluorene-9,9-diyl)dimethanol Synonym
- [9-(Hydroxymethyl)fluoren-9-yl]methanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 226.27 g/mol | CAS Common Chemistry |
| 226.27499999999998 g/mol | RDKit | |
| 226.275 g/mol | RDKit | |
| Canonical SMILES | OCC1(C=2C=CC=CC2C=3C=CC=CC31)CO | CAS Common Chemistry |
| InChI | InChI=1S/C15H14O2/c16-9-15(10-17)13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,16-17H,9-10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=RHBLISBUFROBBC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 145.5-146.5 °C | CAS Common Chemistry |
| Name | 9H-Fluorene-9,9-dimethanol | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 40.46 Ų | RDKit |
| LogP | 1.9377 | RDKit |
| Molar Refractivity | 66.82960000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 226.099379688 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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 = 226.27 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H14O2.
