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
ThymolNigella (Nigella sativa)Herbs and Spices PublicationsShow

Metabolism

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