Identification

PhytoHub ID
PHUB001830
Name
2-(2-hydroxy-4-methylphenyl)propionic acid
Synonyms
Not Available
CAS Number
Not Available
Average Mass
180.203
Monoisotopic Mass
180.078644246
Chemical Formula
C10H12O3
IUPAC Name
Not Available
InChI Key
OFFRVASYEAWIFS-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H12O3/c1-6-3-4-8(9(11)5-6)7(2)10(12)13/h3-5,7,11H,1-2H3,(H,12,13)
SMILES
CC(C(O)=O)C1=CC=C(C)C=C1O
Structure

Calculated Properties

Solubility (ALOGPS)
Not Available
LogS (ALOGPS)
Not Available
LogP (ALOGPS)
Not Available
Hydrogen Acceptors
3
Hydrogen Donors
2
Rotatable Bond Count
2
Polar Surface Area
57.53
Refractivity
48.96220000000001
Polarizability
18.807599528851103
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-6.02332740722946
pKa (strongest acidic)
4.233106834134005
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Precursor Taxonomy

PrecursorFamilyClassSub-class
ThymolTerpenoidsMonoterpenoidsNot AvailableShow Precursor

Spectra

No spectra information available

Food Sources

PrecursorFood SourceFood Source Group
ThymolCommon oreganoHerbs and Spices PublicationsShow
ThymolCommon thymeHerbs and Spices PublicationsShow

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Thymol 2-(2-hydroxy-4-methylphenyl)propionic acidNot AvailableNot AvailableC10H12O3180.078644246
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