Identification

PhytoHub ID
PHUB001440
Name
Homovanillyl alcohol
Synonyms
  • (4-Hydroxy-3-methoxyphenyl)ethanol
CAS Number
Not Available
Average Mass
168.1898
Monoisotopic Mass
168.07864425
Chemical Formula
C9H12O3
IUPAC Name
homovanillyl alcohol
InChI Key
XHUBSJRBOQIZNI-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C9H12O3/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,10-11H,4-5H2,1H3
SMILES
COC1=C(O)C=CC(CCO)=C1
Structure

Calculated Properties

Solubility (ALOGPS)
1.16e+01 g/l
LogS (ALOGPS)
-1.16
LogP (ALOGPS)
0.95
Hydrogen Acceptors
3
Hydrogen Donors
2
Rotatable Bond Count
3
Polar Surface Area
49.69
Refractivity
46.073
Polarizability
17.670892239073055
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-2.410389186578838
pKa (strongest acidic)
10.185383789635116
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Taxonomy

Family
Polyphenols
Class
Phenolic acids
Sub-class
Miscellaneous phenolic acids

Spectra

No spectra information available

Food Sources

Metabolism

No metabolism information available

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