Identification

PhytoHub ID
PHUB000539
Name
4-Ethylguaiacol
Systematic Name
Synonyms
Not Available
CAS Number
Not Available
Average Mass
152.1904
Monoisotopic Mass
152.083729628
Chemical Formula
C9H12O2
IUPAC Name
4-ethylguaiacol
InChI Key
CHWNEIVBYREQRF-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C9H12O2/c1-3-7-4-5-8(10)9(6-7)11-2/h4-6,10H,3H2,1-2H3
SMILES
CCC1=CC(OC)=C(O)C=C1
Structure

Calculated Properties

Solubility (ALOGPS)
2.41e+00 g/l
LogS (ALOGPS)
-1.80
LogP (ALOGPS)
2.36
Hydrogen Acceptors
2
Hydrogen Donors
1
Rotatable Bond Count
2
Polar Surface Area
29.46
Refractivity
44.14430000000001
Polarizability
16.750740725463277
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.891012437808494
pKa (strongest acidic)
10.30026611860602

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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