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

PrecursorMetaboliteSpeciesBiofluids
Eriodictyol Phloroglucinolin vitro (human)Not Available Publications
Hesperetin Phloroglucinolin vitro (pig)Not Available Publications
Naringenin Phloroglucinolin vitro (human)Not Available Publications
Quercetin Phloroglucinolin vitro (human)duodenal juice Publications
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