Identification

PhytoHub ID
PHUB001788
Name
2-(-3-Hydroxy-4-methylphenyl)propan-2-ol
Synonyms
Not Available
CAS Number
Not Available
Average Mass
166.22
Monoisotopic Mass
166.099379691
Chemical Formula
C10H14O2
IUPAC Name
5-(2-hydroxypropan-2-yl)-2-methylphenol
InChI Key
YZZAPGQHAYCEDP-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H14O2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h4-6,11-12H,1-3H3
SMILES
CC1=CC=C(C=C1O)C(C)(C)O
Structure

Calculated Properties

Solubility (ALOGPS)
7.69e+00 g/l
LogS (ALOGPS)
-1.33
LogP (ALOGPS)
1.95
Hydrogen Acceptors
2
Hydrogen Donors
2
Rotatable Bond Count
1
Polar Surface Area
40.46
Refractivity
48.953
Polarizability
18.633508051659653
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-2.9794597950466466
pKa (strongest acidic)
9.708431195174487
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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-Hydroxy-4-methylphenyl)propan-2-olNot AvailableNot AvailableC10H14O2166.099379691
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