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Molecule
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
Identifiers
CAS Registry Number
10597-60-1
SMILES
OCCc1ccc(O)c(O)c1
InChI Key
JUUBCHWRXWPFFH-UHFFFAOYSA-N
InChI
InChI=1S/C8H10O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,9-11H,3-4H2
Names and Synonyms
- Hydroxytyrosol Common Name
- 1,2-Benzenediol, 4-(2-hydroxyethyl)- Synonym
- Phenethyl alcohol, 3,4-dihydroxy- Synonym
- 4-(2-Hydroxyethyl)-1,2-benzenediol Synonym
- β-(3,4-Dihydroxyphenyl)ethanol Synonym
- 3,4-Dihydroxyphenylethanol Synonym
- Ba 2774 Synonym
- 3,4-Dihydroxyphenethyl alcohol Synonym
- β-(3,4-Dihydroxyphenyl)ethyl alcohol Synonym
- 3-Hydroxytyrosol Synonym
- 3,4-Dihydroxy-β-phenethyl alcohol Synonym
- Homoprotocatechuyl alcohol Synonym
- 1-(2-Hydroxyethyl)-3,4-dihydroxybenzene Synonym
- 2-(3,4-Dihydroxyphenyl)ethanol Synonym
- 3,4-Dihydroxyphenylethyl alcohol Synonym
- 2-(3,4-Dihydroxyphenyl)ethyl alcohol Synonym
- Hydroxytyrosol Synonym
- 3,4-DHPEA Synonym
- 3,4-Dihydroxybenzeneethanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 154.17 g/mol | CAS Common Chemistry |
| 154.165 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 |
| 0.6326 | RDKit | |
| Molar Refractivity | 40.56140000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 154.06299418 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 154.17 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H10O3.
