Identification

PhytoHub ID
PHUB001126
Name
Phloroglucinol
Synonyms
  • 1,3,5-benzoltriol
  • 1,3,5-trihydroxybenzene
  • 1,3,5-trihydroxyphenol
CAS Number
108-73-6
Average Mass
126.11
Monoisotopic Mass
126.031694058
Chemical Formula
C6H6O3
IUPAC Name
phloroglucinol
InChI Key
QCDYQQDYXPDABM-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H
SMILES
OC1=CC(O)=CC(O)=C1
Structure

Calculated Properties

Solubility (ALOGPS)
3.58e+01 g/l
LogS (ALOGPS)
-0.55
LogP (ALOGPS)
0.25
Hydrogen Acceptors
3
Hydrogen Donors
3
Rotatable Bond Count
0
Polar Surface Area
60.69
Refractivity
32.0007
Polarizability
11.685180476962074
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-5.370308771902201
pKa (strongest acidic)
9.126324331505472
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Precursor Taxonomy

PrecursorFamilyClassSub-class
EriodictyolPolyphenolsFlavonoidsFlavanonesShow Precursor
HesperetinPolyphenolsFlavonoidsFlavanonesShow Precursor
NaringeninPolyphenolsFlavonoidsFlavanonesShow Precursor
QuercetinPolyphenolsFlavonoidsFlavonolsShow Precursor

Spectra

No spectra information available

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Eriodictyol Phloroglucinolin vitro (human)Not AvailableC6H6O3126.031694058 Publications
Hesperetin Phloroglucinolin vitro (pig)Not AvailableC6H6O3126.031694058 Publications
Naringenin Phloroglucinolin vitro (human)Not AvailableC6H6O3126.031694058 Publications
Quercetin Phloroglucinolin vitro (human)duodenal juiceC6H6O3126.031694058 Publications
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