Identification

PhytoHub ID
PHUB001307
Name
Hydroquinone
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
110.112
Monoisotopic Mass
110.036779433
Chemical Formula
C6H6O2
IUPAC Name
α-hydroquinone
InChI Key
QIGBRXMKCJKVMJ-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H
SMILES
OC1=CC=C(O)C=C1
Structure

Calculated Properties

Solubility (ALOGPS)
9.55e+01 g/l
LogS (ALOGPS)
-0.06
LogP (ALOGPS)
0.71
Hydrogen Acceptors
2
Hydrogen Donors
2
Rotatable Bond Count
0
Polar Surface Area
40.46
Refractivity
30.019799999999996
Polarizability
10.75170676043929
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-5.887165947200476
pKa (strongest acidic)
9.676283592749463
Number of Rings
1
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Metabolite

Family
Polyphenols
Class
Miscellaneous polyphenols
Sub-class
Not Available

Taxonomy of its Precursor(s)

PrecursorFamilyClassSub-class
ArbutinPolyphenolsPhenolic acidsMiscellaneous phenolic acidsShow Precursor

Classyfire Taxonomy

Kingdom Name
Organic compounds
Class
Phenols
Super-class
Benzenoids
Sub-class
Benzenediols
Direct Parent Name
Hydroquinones
Alternative Parent Names
["1-hydroxy-2-unsubstituted benzenoids", "Benzene and substituted derivatives", "Hydrocarbon derivatives", "Organooxygen compounds"]
External Descriptor Annotations
["a benzenediol", "an electron-transfer-related quinol", "benzenediol", "hydroquinones"]
Substituent Names
["1-hydroxy-2-unsubstituted benzenoid", "Aromatic homomonocyclic compound", "Hydrocarbon derivative", "Hydroquinone", "Monocyclic benzene moiety", "Organic oxygen compound", "Organooxygen compound"]

Spectra

No spectra information available

Food Sources

No food source information available

Food Sources of its Precursor(s)

PrecursorFood SourceFood Source Group
ArbutinPearFruit, Pomes PublicationsShow
ArbutinSweet marjoramHerbs and Spices PublicationsShow
ArbutinWheat germCereals and cereal products PublicationsShow
ArbutinWhole wheat breadCereals and cereal products PublicationsShow

Metabolism

PrecursorMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Arbutin Hydroquinonehumanplasma, urineNot AvailableNot AvailableNot AvailableNot AvailableC6H6O2110.036779433 Publications

Inter-Individual Variations Metabolism

No inter-individual variations available

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