Hydroxytyrosol
precursor
Showing entry for Hydroxytyrosol
Identification
- PhytoHub ID
- PHUB001698
- Name
- Hydroxytyrosol
- Systematic Name
- 2-(3',4'-dihydroxyphenyl)ethanol
- Synonyms
- 2-(3,4-hydroxyphenyl)ethanol
- 3,4-DHPEA
- 3,4-dihydroxyphenethyl alcohol
- 3,4-dihydroxyphenylethanol
- 3'-hydroxytyrosol
- 4-(2-hydroxyethyl)-1,2-benzenediol
- DOPET
- homoprotocatechuyl alcohol
- CAS Number
- 10597-60-1
- Average Mass
- 154.165
- Monoisotopic Mass
- 154.062994182
- Chemical Formula
- C8H10O3
- IUPAC Name
- 4-(2-hydroxyethyl)benzene-1,2-diol
- InChI Key
- JUUBCHWRXWPFFH-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C8H10O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,9-11H,3-4H2
- SMILES
OCCC1=CC=C(O)C(O)=C1
- Structure
Structure for Hydroxytyrosol
Calculated Properties
- Solubility (ALOGPS)
- 1.74e+01 g/l
- LogS (ALOGPS)
- -0.95
- LogP (ALOGPS)
- 0.13
- Hydrogen Acceptors
- 3
- Hydrogen Donors
- 3
- Rotatable Bond Count
- 2
- Polar Surface Area
- 60.69
- Refractivity
- 41.5907
- Polarizability
- 15.770162621032398
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -2.4099441681107265
- pKa (strongest acidic)
- 9.44823645704384
- Number of Rings
- 1
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- ChEBI
- CHEBI:68889
- Phenol-Explorer
- 674
- PeakForestCompound
- 000811
Taxonomy as Food Phytochemical
- Family
- Polyphenols
- Class
- Miscellaneous polyphenols
- Sub-class
- Not Available
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Phenols
- Super-class
- Benzenoids
- Sub-class
- Tyrosols and derivatives
- Direct Parent Name
- Tyrosols
- Alternative Parent Names
- ["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "Benzene and substituted derivatives", "Catechols", "Hydrocarbon derivatives", "Primary alcohols"]
- External Descriptor Annotations
- ["catechols", "primary alcohol"]
- Substituent Names
- ["1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "Alcohol", "Aromatic homomonocyclic compound", "Catechol", "Hydrocarbon derivative", "Monocyclic benzene moiety", "Organic oxygen compound", "Organooxygen compound", "Primary alcohol", "Tyrosol"]
Spectra from Phytohub
Food Sources
Role as Biomarker of intake
No roles as Biomarker of intake found