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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 Weight:
154.165 g/mol
Names and Synonyms:
Hydroxytyrosol
3,4-Dihydroxybenzeneethanol
3,4-DHPEA
Hydroxytyrosol
2-(3,4-Dihydroxyphenyl)ethyl alcohol
3,4-Dihydroxyphenylethyl alcohol
2-(3,4-Dihydroxyphenyl)ethanol
1-(2-Hydroxyethyl)-3,4-dihydroxybenzene
Homoprotocatechuyl alcohol
3,4-Dihydroxy-β-phenethyl alcohol
3-Hydroxytyrosol
β-(3,4-Dihydroxyphenyl)ethyl alcohol
3,4-Dihydroxyphenethyl alcohol
Ba 2774
3,4-Dihydroxyphenylethanol
β-(3,4-Dihydroxyphenyl)ethanol
4-(2-Hydroxyethyl)-1,2-benzenediol
Phenethyl alcohol, 3,4-dihydroxy-
1,2-Benzenediol, 4-(2-hydroxyethyl)-
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
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 154.165 g/mol | RDKit |
| Exact | Exact Molecular Weight | 154.06299418 g/mol | RDKit |
| Heavy | Heavy Atom Count | 11 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 3 count | RDKit | |
| Rotatable | Rotatable Bonds | 2 count | RDKit |
| Aromatic | Aromatic Ring Count | 1 count | RDKit |
| Topological | Topological Polar Surface Area | 60.69 Ų | RDKit |
| Physical Properties | LogP | 0.6325999999999998 | RDKit |
| molecular_mass | 154.17 g/mol | Legacy Database | |
| wikipedia_url | https://en.wikipedia.org/wiki/Hydroxytyrosol | Legacy Database | |
| cas-canonical-smile | OC1=CC=C(C=C1O)CCO | Legacy Database | |
| cas-inchi | InChI=1S/C8H10O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,9-11H,3-4H2 | Legacy Database | |
| cas-inchi-key | InChIKey=JUUBCHWRXWPFFH-UHFFFAOYSA-N | Legacy Database | |
| cas-name | Hydroxytyrosol | Legacy Database | |
| wikipedia-name | Hydroxytyrosol | Legacy Database | |
| Molar | Molar Refractivity | 40.56140000000002 | RDKit |
