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Molecule
9-Anthracenemethanol
CAS: 1468-95-7 · C15H12O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1468-95-7
- Molecular Formula
- C15H12O
- Molecular Mass
- 208.26 g/mol
Identifiers
CAS Registry Number
1468-95-7
SMILES
OCc1c2ccccc2cc2ccccc12
InChI Key
JCJNNHDZTLRSGN-UHFFFAOYSA-N
InChI
InChI=1S/C15H12O/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9,16H,10H2
Names and Synonyms
- 9-Anthracenemethanol Systematic Name
- 9-Anthracenemethanol Synonym
- 9-Anthrylcarbinol Synonym
- 9-Methylolanthracene Synonym
- 9-(Hydroxymethyl)anthracene Synonym
- Anthracene-9-carbinol Synonym
- 9-Anthrylmethanol Synonym
- 9-Anthracenylmethanol Synonym
- NSC 241166 Synonym
- 9-Anthracenylmethyl alcohol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 208.26 g/mol | CAS Common Chemistry |
| Wikipedia Url | https://en.wikipedia.org/wiki/9-Anthracenemethanol | CAS Common Chemistry |
| Canonical SMILES | OCC=1C=2C=CC=CC2C=C3C=CC=CC31 | CAS Common Chemistry |
| InChI | InChI=1S/C15H12O/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9,16H,10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=JCJNNHDZTLRSGN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 158 °C @ Solvent: Ethanol | CAS Common Chemistry |
| Name | 9-Anthracenemethanol | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 3.4853000000000014 | RDKit |
| 3.4853 | RDKit | |
| Molar Refractivity | 67.37680000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0667 | RDKit |
| 0.07 | chempirical lib | |
| Exact Mass | 208.088815004 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 = 208.26 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H12O.
