Identification

PhytoHub ID
PHUB001307
Name
Hydroquinone
Systematic Name
Synonyms
Not Available
CAS Number
Not Available
Average Mass
110.1106
Monoisotopic Mass
110.036779436
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

Precursor Taxonomy

PrecursorFamilyClassSub-class
ArbutinPolyphenolsPhenolic acidsMiscellaneous phenolic acidsShow Precursor

Spectra

No spectra information available

Food Sources

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

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Arbutin Hydroquinonehumanplasma, urineC6H6O2110.036779436 Publications
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