Back to Search
3-Hydroxybenzeneethanol
CAS: 13398-94-2 | C8H10O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13398-94-2
Molecular Formula:
C8H10O2
Molecular Weight:
138.16599999999997 g/mol
Names and Synonyms:
3-Hydroxybenzeneethanol
Benzeneethanol, 3-hydroxy-
Phenethyl alcohol, m-hydroxy-
3-Hydroxybenzeneethanol
m-Hydroxyphenethyl alcohol
m-Tyrosol
2-(m-Hydroxyphenyl)ethanol
3-(β-Hydroxyethyl)phenol
2-(3-Hydroxyphenyl)ethanol
1,3-Tyrosol
2-(3-Hydroxyphenyl)ethyl alcohol
3-Hydroxyphenethyl alcohol
NSC 101846
3-(2-Hydroxyethyl)phenol
m-Hydroxyphenylethyl alcohol
Identifiers:
SMILES:
OCCc1cccc(O)c1
InChI:
InChI=1S/C8H10O2/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6,9-10H,4-5H2
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 138.16599999999997 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 138.06807956 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 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 | 40.46 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.9269999999999998 | RDKit |
| molecular_mass | 138.17 g/mol | Legacy Database |
| cas-boiling-point | 168-173 °C @ Press: 4 Torr None | Legacy Database |
| cas-canonical-smile | OC1=CC=CC(=C1)CCO None | Legacy Database |
| cas-inchi | InChI=1S/C8H10O2/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6,9-10H,4-5H2 None | Legacy Database |
| cas-inchi-key | InChIKey=AMQIPHZFLIDOCB-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 3-Hydroxybenzeneethanol None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 38.896600000000014 | RDKit |
