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Molecule
2-Fluoro-4-Methoxybenzenemethanol
CAS: 405-09-4 · C8H9FO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 405-09-4
- Molecular Formula
- C8H9FO2
- Molecular Mass
- 156.16 g/mol
Identifiers
CAS Registry Number
405-09-4
SMILES
COc1ccc(CO)c(F)c1
InChI Key
AZYGOIQKPGPBTM-UHFFFAOYSA-N
InChI
InChI=1S/C8H9FO2/c1-11-7-3-2-6(5-10)8(9)4-7/h2-4,10H,5H2,1H3
Names and Synonyms
- 2-Fluoro-4-Methoxybenzenemethanol Systematic Name
- Benzenemethanol, 2-fluoro-4-methoxy- Synonym
- 2-Fluoro-4-methoxybenzenemethanol Synonym
- 2-Fluoro-4-methoxybenzyl alcohol Synonym
- (2-Fluoro-4-methoxyphenyl)methanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 156.16 g/mol | CAS Common Chemistry |
| 156.15599999999998 g/mol | RDKit | |
| 156.156 g/mol | RDKit | |
| Canonical SMILES | FC1=CC(OC)=CC=C1CO | CAS Common Chemistry |
| InChI | InChI=1S/C8H9FO2/c1-11-7-3-2-6(5-10)8(9)4-7/h2-4,10H,5H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=AZYGOIQKPGPBTM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Fluoro-4-methoxybenzenemethanol | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 29.46 Ų | RDKit |
| LogP | 1.3266 | RDKit |
| Molar Refractivity | 38.874800000000015 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 156.058657748 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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20
0 ppm
| 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 = 156.16 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H9FO2.
