Identification

PhytoHub ID
PHUB000549
Name
4-Vinylsyringol
Systematic Name
Synonyms
Not Available
CAS Number
Not Available
Average Mass
242.2699
Monoisotopic Mass
242.094294314
Chemical Formula
C15H14O3
IUPAC Name
3-methoxy-5-[(E)-2-phenylethenyl]benzene-1,2-diol
InChI Key
WBBHYMRWGHBXLS-BQYQJAHWSA-N
InChI Identifier
InChI=1S/C15H14O3/c1-18-14-10-12(9-13(16)15(14)17)8-7-11-5-3-2-4-6-11/h2-10,16-17H,1H3/b8-7+
SMILES
COC1=CC(\C=C\C2=CC=CC=C2)=CC(O)=C1O
Structure

Calculated Properties

Solubility (ALOGPS)
5.05e-02 g/l
LogS (ALOGPS)
-3.68
LogP (ALOGPS)
3.16
Hydrogen Acceptors
3
Hydrogen Donors
2
Rotatable Bond Count
3
Polar Surface Area
49.69
Refractivity
71.93780000000002
Polarizability
26.487247758008003
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.905408123603908
pKa (strongest acidic)
8.964728457248892

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

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