Identification

PhytoHub ID
PHUB000547
Name
4-Vinylguaiacol
Systematic Name
Synonyms
Not Available
CAS Number
Not Available
Average Mass
150.1745
Monoisotopic Mass
150.068079564
Chemical Formula
C9H10O2
IUPAC Name
2-methoxy-4-vinyl-phenol
InChI Key
YOMSJEATGXXYPX-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C9H10O2/c1-3-7-4-5-8(10)9(6-7)11-2/h3-6,10H,1H2,2H3
SMILES
COC1=CC(C=C)=CC=C1O
Structure

Calculated Properties

Solubility (ALOGPS)
7.42e+00 g/l
LogS (ALOGPS)
-1.31
LogP (ALOGPS)
1.84
Hydrogen Acceptors
2
Hydrogen Donors
1
Rotatable Bond Count
2
Polar Surface Area
29.46
Refractivity
44.18840000000001
Polarizability
15.98631844617075
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.89373168768089
pKa (strongest acidic)
10.034622277956638

Taxonomy

Family
Polyphenols
Class
Phenolic acids
Sub-class
Miscellaneous phenolic acids

Spectra

Record IDSourceDescriptionView
JP008192MassBankEI-B Spectrum - -, [M]+*View Spectra
JP009097MassBankEI-B Spectrum - -, [M]+*View Spectra

Food Sources

NameGroup
BeerBeverages, Alcoholic PublicationsShow

Metabolism

No metabolism information available

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