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Molecule
Fluorene-9-Methanol
CAS: 24324-17-2 · C14H12O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 24324-17-2
- Molecular Formula
- C14H12O
- Molecular Mass
- 196.25 g/mol
Identifiers
CAS Registry Number
24324-17-2
SMILES
OCC1c2ccccc2-c2ccccc21
InChI Key
XXSCONYSQQLHTH-UHFFFAOYSA-N
InChI
InChI=1S/C14H12O/c15-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14-15H,9H2
Names and Synonyms
- Fluorene-9-Methanol Synonym
- 9H-Fluorene-9-methanol Synonym
- Fluorene-9-methanol Synonym
- 9-Fluorenylmethanol Synonym
- 9-(Hydroxymethyl)fluorene Synonym
- 9-Fluorenylmethyl alcohol Synonym
- (9H-Fluoren-9-yl)methanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 196.25 g/mol | CAS Common Chemistry |
| 196.249 g/mol | RDKit | |
| Boiling Point | 325.4 °C | CAS Common Chemistry |
| Canonical SMILES | OCC1C=2C=CC=CC2C=3C=CC=CC31 | CAS Common Chemistry |
| InChI | InChI=1S/C14H12O/c15-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14-15H,9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=XXSCONYSQQLHTH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 105-107 °C | CAS Common Chemistry |
| Name | Fluorene-9-methanol | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 2.791200000000001 | RDKit |
| 2.7912 | RDKit | |
| 2.54 | chempirical lib | |
| Molar Refractivity | 60.80680000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 196.088815004 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 196.25 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H12O.
