Identification

PhytoHub ID
PHUB001669
Name
3,4-Dihydroxyphenylglycol
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
170.164
Monoisotopic Mass
170.057908802
Chemical Formula
C8H10O4
IUPAC Name
4-(1,2-dihydroxyethyl)benzene-1,2-diol
InChI Key
MTVWFVDWRVYDOR-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C8H10O4/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8-12H,4H2
SMILES
OCC(O)C1=CC(O)=C(O)C=C1
Structure

Calculated Properties

Solubility (ALOGPS)
1.67e+01 g/l
LogS (ALOGPS)
-1.01
LogP (ALOGPS)
-0.72
Hydrogen Acceptors
4
Hydrogen Donors
4
Rotatable Bond Count
2
Polar Surface Area
80.92
Refractivity
42.7982
Polarizability
16.594794387356284
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-2.9774649407240963
pKa (strongest acidic)
9.20999409215474
Number of Rings
1
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

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
Benzenediols
Direct Parent Name
Catechols
Alternative Parent Names
["1,2-diols", "1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "Aromatic alcohols", "Benzene and substituted derivatives", "Hydrocarbon derivatives", "Primary alcohols", "Secondary alcohols"]
External Descriptor Annotations
["a catechol", "catechols", "tetrol"]
Substituent Names
["1,2-diol", "1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "Alcohol", "Aromatic alcohol", "Aromatic homomonocyclic compound", "Catechol", "Hydrocarbon derivative", "Monocyclic benzene moiety", "Organic oxygen compound", "Organooxygen compound", "Primary alcohol", "Secondary alcohol"]

Spectra from Online Resources

No spectra information available

Food Sources

NameGroup
Olive, greenFruit, Drupes PublicationsShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

No metabolism information available

Inter-Individual Variations in Metabolism

No data on inter-individual variations available

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