Identification

PhytoHub ID
PHUB000555
Name
5-Nonadecenylresorcinol
Synonyms
Not Available
CAS Number
Not Available
Average Mass
374.609
Monoisotopic Mass
374.318480592
Chemical Formula
C25H42O2
IUPAC Name
5-[(1E)-nonadec-1-en-1-yl]benzene-1,3-diol
InChI Key
DELSXHKTDYFIOG-VHEBQXMUSA-N
InChI Identifier
InChI=1S/C25H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-24(26)22-25(27)21-23/h18-22,26-27H,2-17H2,1H3/b19-18+
SMILES
CCCCCCCCCCCCCCCCC\C=C\C1=CC(O)=CC(O)=C1
Structure

Calculated Properties

Solubility (ALOGPS)
9.78e-05 g/l
LogS (ALOGPS)
-6.58
LogP (ALOGPS)
9.42
Hydrogen Acceptors
2
Hydrogen Donors
2
Rotatable Bond Count
17
Polar Surface Area
40.46
Refractivity
118.9956
Polarizability
50.15886493417254
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-5.677636669635306
pKa (strongest acidic)
9.17055910585695
FreewebChemaxon powered

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