Identification

PhytoHub ID
PHUB000554
Name
5-Heptadecylresorcinol
Systematic Name
Synonyms
  • 5-heptadecylbenzene-1,3-diol
  • Alkylresorcinol C17:0
CAS Number
Not Available
Average Mass
348.5625
Monoisotopic Mass
348.302830524
Chemical Formula
C23H40O2
IUPAC Name
5-heptadecylbenzene-1,3-diol
InChI Key
BBGNINPPDHJETF-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C23H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h18-20,24-25H,2-17H2,1H3
SMILES
CCCCCCCCCCCCCCCCCC1=CC(O)=CC(O)=C1
Structure

Calculated Properties

Solubility (ALOGPS)
1.77e-04 g/l
LogS (ALOGPS)
-6.29
LogP (ALOGPS)
8.79
Hydrogen Acceptors
2
Hydrogen Donors
2
Rotatable Bond Count
16
Polar Surface Area
40.46
Refractivity
108.67699999999999
Polarizability
46.59573450006682
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-5.6650579160485925
pKa (strongest acidic)
9.359032641624808

Taxonomy

Family
Polyphenols
Class
Phenolic acids
Sub-class
Miscellaneous phenolic acids

Spectra

No spectra information available

Food Sources

No food source information available

Metabolism

No metabolism information available

Back