Identification

PhytoHub ID
PHUB000523
Name
2-Methoxy-5-prop-1-enylphenol
Synonyms
  • 2-Methoxy-5-prop-1-enylbenzene
CAS Number
Not Available
Average Mass
164.204
Monoisotopic Mass
164.083729626
Chemical Formula
C10H12O2
IUPAC Name
2-methoxy-5-[(1E)-prop-1-en-1-yl]phenol
InChI Key
LHJZSWVADJCBNI-ONEGZZNKSA-N
InChI Identifier
InChI=1S/C10H12O2/c1-3-4-8-5-6-10(12-2)9(11)7-8/h3-7,11H,1-2H3/b4-3+
SMILES
COC1=C(O)C=C(\C=C\C)C=C1
Structure

Calculated Properties

Solubility (ALOGPS)
1.48e+00 g/l
LogS (ALOGPS)
-2.04
LogP (ALOGPS)
2.79
Hydrogen Acceptors
2
Hydrogen Donors
1
Rotatable Bond Count
2
Polar Surface Area
29.46
Refractivity
49.8619
Polarizability
18.358937569583286
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.888191663183701
pKa (strongest acidic)
9.856368431075763
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Taxonomy

Family
Polyphenols
Class
Phenolic acids
Sub-class
Miscellaneous phenolic acids

Spectra

Record IDSourceDescriptionView
JP001244MassBankEI-B Spectrum - -, [M]+*View Spectra
JP001245MassBankEI-B Spectrum - -, [M]+*View Spectra

Food Sources

No food source information available

Metabolism

No metabolism information available

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