metabolite

Showing entry for 2,3-Dihydroxy-p-cymene

Identification

PhytoHub ID
PHUB001787
Name
2,3-Dihydroxy-p-cymene
Synonyms
Not Available
CAS Number
Not Available
Average Mass
166.22
Monoisotopic Mass
166.099379691
Chemical Formula
C10H14O2
IUPAC Name
3-isopropyl-6-methylbenzene-1,2-diol
InChI Key
LYUBXLHGANLIMX-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H14O2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h4-6,11-12H,1-3H3
SMILES
CC(C)C1=CC=C(C)C(O)=C1O
Structure
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure

Calculated Properties

Solubility (ALOGPS)
3.31e+00 g/l
LogS (ALOGPS)
-1.70
LogP (ALOGPS)
2.19
Hydrogen Acceptors
2
Hydrogen Donors
2
Rotatable Bond Count
1
Polar Surface Area
40.46
Refractivity
49.2518
Polarizability
18.678918726713864
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-6.037620061626645
pKa (strongest acidic)
9.886502174920727
FreewebChemaxon powered

Precursor Taxonomy

PrecursorFamilyClassSub-class
CarvacrolTerpenoidsMonoterpenoidsNot AvailableShow Precursor

Spectra

No spectra information available

Food Sources

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

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Carvacrol 2,3-Dihydroxy-p-cymeneNot AvailableNot AvailableC10H14O2166.099379691
Back