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Molecule
2-(2-Hydroxyethyl)Phenol
CAS: 7768-28-7 · C8H10O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7768-28-7
- Molecular Formula
- C8H10O2
- Molecular Mass
- 138.17 g/mol
Identifiers
CAS Registry Number
7768-28-7
SMILES
OCCc1ccccc1O
InChI Key
ABFCOJLLBHXNOU-UHFFFAOYSA-N
InChI
InChI=1S/C8H10O2/c9-6-5-7-3-1-2-4-8(7)10/h1-4,9-10H,5-6H2
Names and Synonyms
- 2-(2-Hydroxyethyl)Phenol Synonym
- Benzeneethanol, 2-hydroxy- Synonym
- Phenethyl alcohol, o-hydroxy- Synonym
- 2-Hydroxybenzeneethanol Synonym
- 2-(o-Hydroxyphenyl)ethanol Synonym
- β-(o-Hydroxyphenyl)ethanol Synonym
- o-Hydroxyphenethyl alcohol Synonym
- 2-(2-Hydroxyphenyl)ethanol Synonym
- o-(2-Hydroxyethyl)phenol Synonym
- 2-(2-Hydroxyethyl)phenol Synonym
- 2-Hydroxyphenethyl alcohol Synonym
- 1,2-Tyrosol Synonym
- 2-(2-Hydroxyphenyl)ethyl alcohol Synonym
- NSC 101845 Synonym
- 6-(2-Hydroxyethyl)phenol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 138.17 g/mol | CAS Common Chemistry |
| 138.16599999999997 g/mol | RDKit | |
| 138.166 g/mol | RDKit | |
| Canonical SMILES | OC=1C=CC=CC1CCO | CAS Common Chemistry |
| InChI | InChI=1S/C8H10O2/c9-6-5-7-3-1-2-4-8(7)10/h1-4,9-10H,5-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=ABFCOJLLBHXNOU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-(2-Hydroxyethyl)phenol | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 40.46 Ų | RDKit |
| LogP | 0.9269999999999998 | RDKit |
| 0.927 | RDKit | |
| Molar Refractivity | 38.896600000000014 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 138.06807956 g/mol | RDKit |
| Boiling Point | 110 °C @ 0.55 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
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MW = 138.17 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H10O2.
