Back to Search
Molecule
4-Fluorobenzeneethanol
CAS: 7589-27-7 · C8H9FO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7589-27-7
- Molecular Formula
- C8H9FO
- Molecular Mass
- 140.16 g/mol
Identifiers
CAS Registry Number
7589-27-7
SMILES
OCCc1ccc(F)cc1
InChI Key
MWUVGXCUHWKQJE-UHFFFAOYSA-N
InChI
InChI=1S/C8H9FO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2
Names and Synonyms
- 4-Fluorobenzeneethanol Systematic Name
- Benzeneethanol, 4-fluoro- Synonym
- Phenethyl alcohol, p-fluoro- Synonym
- 4-Fluorobenzeneethanol Synonym
- p-Fluorophenethyl alcohol Synonym
- 2-(4-Fluorophenyl)ethanol Synonym
- 4-Fluorophenethyl alcohol Synonym
- 2-(4-Fluorophenyl)ethyl alcohol Synonym
- 2-(4-Fluorophenyl)ethan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 140.16 g/mol | CAS Common Chemistry |
| 140.15699999999998 g/mol | RDKit | |
| 140.157 g/mol | RDKit | |
| Density | 1.14 g/cm³ | CAS Common Chemistry |
| 1.137 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | FC1=CC=C(C=C1)CCO | CAS Common Chemistry |
| InChI | InChI=1S/C8H9FO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=MWUVGXCUHWKQJE-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-Fluorobenzeneethanol | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 1.3605 | RDKit |
| Molar Refractivity | 37.18980000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 140.063743128 g/mol | RDKit |
| Boiling Point | 117-118 °C @ 20 Torr | CAS Common Chemistry |
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
Convert
Quick conversion
MW = 140.16 g/mol; density = 1.140 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H9FO.
