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Ubiquinol

Athanor · official

C19H28O4 · 320.4 g/mol

IUPAC name: 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,6-dimethoxy-3-methylbenzene-1,4-diol

Also called reduced coenzyme Q, CoQH2, QH2, ubiquinol-2

Vitamins
Open in Athanor
The structure of Ubiquinol
Drawn from its SMILES with RDKit

Names and identifiers

IUPAC name
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,6-dimethoxy-3-methylbenzene-1,4-diol
Synonyms
reduced coenzyme Q, CoQH2, QH2
+ 15 more

ubiquinol-2, UBIQUINOL 10, DTXSID701317902, RefChem:1100623, DTXCID90910008, Coenzyme Q10, reduced, 2-((2E)-3,7-Dimethyl-2,6-octadienyl)-5,6-dimethoxy-3-methyl-1,4-benzenediol, 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,6-dimethoxy-3-methylbenzene-1,4-diol, SCHEMBL4368813, CHEMBL2272030, CHEBI:167578, RNUCUWWMTTWKAH-JLHYYAGUSA-N, 2-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5,6-dimethoxy-3-methylbenzene-1,4-diol, 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,6-dimethoxy-3-methyl-hydroquinone, 1,4-Benzenediol, 2-(3,7-dimethyl-2,6-octadienyl)-5,6-dimethoxy-3-methyl-, (E)-

Molecular formula
C19H28O4
Empirical formula
C19H28O4
Molecular weight
320.4 g/mol
Exact mass
320.19876
CAS number
992-78-9
PubChem CID
5280344
Canonical SMILES
CC1=C(C(=C(C(=C1O)OC)OC)O)CC=C(C)CCC=C(C)C
Isomeric SMILES
CC1=C(C(=C(C(=C1O)OC)OC)O)C/C=C(\C)/CCC=C(C)C
InChI
InChI=1S/C19H28O4/c1-12(2)8-7-9-13(3)10-11-15-14(4)16(20)18(22-5)19(23-6)17(15)21/h8,10,20-21H,7,9,11H2,1-6H3/b13-10+
InChIKey
RNUCUWWMTTWKAH-JLHYYAGUSA-N
Molfile

Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.

Calculated

Heavy atoms
23
Rings
1
Aromatic rings
1
Fraction sp³ carbons (Fsp3)
0.47
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
7
TPSA (Ų)
58.9
Formal charge
0
XLogP3
5.3 PubChem
Complexity
412 PubChem
Stereocenters
None
Double-bond geometry
C11=C12: E
Point group
C1 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

  • C71.22%
  • H8.81%
  • O19.97%

Isotope pattern

100%320.19921%321.2022.9%322.205323.207

Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.

Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.

Predicted

log P
4.66 Crippen (Wildman and Crippen 1999)
log S (water solubility)
-4.49 ESOL (Delaney 2004), log mol/L
Synthetic accessibility
2.85 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

  • Molecular weight ≤ 500: 320.43
  • log P ≤ 5 (Crippen): 4.66
  • H-bond donors ≤ 5: 2
  • H-bond acceptors ≤ 10: 4

Passes all four rules.

¹³C NMR shifts, predicted

Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.

Safety

No GHS hazard classification was found in the sources.

Safety data sheets on the supplier’s page: RR Scientific, EvitaChem, J&H Chemical Co.,ltd.

Always read the supplier’s safety data sheet before working with it.

Literature

Reading PubChem, OpenAlex and GSRS…

Bioactivity

Reading ChEMBL…

References

  1. ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
  2. ·Literature on PubChem

Data last updated 2026-10-14.