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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 Weight:
140.15699999999998 g/mol
Names and Synonyms:
4-Fluorobenzeneethanol
2-(4-Fluorophenyl)ethan-1-ol
2-(4-Fluorophenyl)ethyl alcohol
4-Fluorophenethyl alcohol
2-(4-Fluorophenyl)ethanol
p-Fluorophenethyl alcohol
4-Fluorobenzeneethanol
Phenethyl alcohol, p-fluoro-
Benzeneethanol, 4-fluoro-
Identifiers:
SMILES:
OCCc1ccc(F)cc1
InChI:
InChI=1S/C8H9FO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 140.16 g/mol | Legacy Database |
| density | 1.14 g/cm³ | Legacy Database |
| cas-boiling-point | 117-118 °C @ Press: 20 Torr None | Legacy Database |
| cas-canonical-smile | FC1=CC=C(C=C1)CCO None | Legacy Database |
| cas-density | 1.137 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C8H9FO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2 None | Legacy Database |
| cas-inchi-key | InChIKey=MWUVGXCUHWKQJE-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 4-Fluorobenzeneethanol None | Legacy Database |
| LogP | 1.3605 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 140.15699999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 140.063743128 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 20.23 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 37.18980000000001 | RDKit |
