Back to Search
Hydroxytyrosol
CAS: 10597-60-1 | C8H10O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10597-60-1
Molecular Formula:
C8H10O3
Molecular Mass:
154.17 g/mol
Names and Synonyms:
Hydroxytyrosol
1,2-Benzenediol, 4-(2-hydroxyethyl)-
Phenethyl alcohol, 3,4-dihydroxy-
4-(2-Hydroxyethyl)-1,2-benzenediol
β-(3,4-Dihydroxyphenyl)ethanol
3,4-Dihydroxyphenylethanol
Ba 2774
3,4-Dihydroxyphenethyl alcohol
β-(3,4-Dihydroxyphenyl)ethyl alcohol
3-Hydroxytyrosol
3,4-Dihydroxy-β-phenethyl alcohol
Homoprotocatechuyl alcohol
1-(2-Hydroxyethyl)-3,4-dihydroxybenzene
2-(3,4-Dihydroxyphenyl)ethanol
3,4-Dihydroxyphenylethyl alcohol
2-(3,4-Dihydroxyphenyl)ethyl alcohol
Hydroxytyrosol
3,4-DHPEA
3,4-Dihydroxybenzeneethanol
Identifiers:
SMILES:
OCCc1ccc(O)c(O)c1
InChI:
InChI=1S/C8H10O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,9-11H,3-4H2
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 154.17 g/mol | CAS Common Chemistry |
| 154.165 g/mol | RDKit | |
| 154.06299418 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Hydroxytyrosol | CAS Common Chemistry |
| Canonical SMILES | OC1=CC=C(C=C1O)CCO | CAS Common Chemistry |
| InChI | InChI=1S/C8H10O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,9-11H,3-4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=JUUBCHWRXWPFFH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Hydroxytyrosol | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 60.69 Ų | RDKit |
| LogP | 0.6325999999999998 | RDKit |
| Molar Refractivity | 40.56140000000002 | RDKit |
