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1-(4-Hydroxyphenyl)Ethanol
CAS: 2380-91-8 | C8H10O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2380-91-8
Molecular Formula:
C8H10O2
Molecular Weight:
138.16599999999997 g/mol
Names and Synonyms:
1-(4-Hydroxyphenyl)Ethanol
α-Methyl(4-hydroxy)benzyl alcohol
1-(p-Hydroxyphenyl)ethanol
4-(1-Hydroxyethyl)phenol
4-Hydroxyphenylmethylcarbinol
(RS)-1-(4-Hydroxyphenyl)ethanol
p-(1-Hydroxyethyl)phenol
1-(4-Hydroxyphenyl)ethanol
1-(4-Hydroxyphenyl)-1-ethanol
p-Hydroxy-α-methylbenzyl alcohol
1-(4-Hydroxyphenyl)ethyl alcohol
4-Hydroxy-α-methylbenzenemethanol
Benzyl alcohol, p-hydroxy-α-methyl-
Benzenemethanol, 4-hydroxy-α-methyl-
Identifiers:
SMILES:
CC(O)c1ccc(O)cc1
InChI:
InChI=1S/C8H10O2/c1-6(9)7-2-4-8(10)5-3-7/h2-6,9-10H,1H3
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 | 1 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 | 1.4454999999999998 | RDKit |
| molecular_mass | 138.17 g/mol | Legacy Database |
| cas-canonical-smile | OC1=CC=C(C=C1)C(O)C None | Legacy Database |
| cas-inchi | InChI=1S/C8H10O2/c1-6(9)7-2-4-8(10)5-3-7/h2-6,9-10H,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=PMRFBLQVGJNGLU-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 132-133 °C None | Legacy Database |
| cas-name | 1-(4-Hydroxyphenyl)ethanol None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 38.74060000000001 | RDKit |
