Identification

PhytoHub ID
PHUB001790
Name
2-Hydroxymethyl-5-(1-methylethyl)phenol
Synonyms
Not Available
CAS Number
Not Available
Average Mass
166.22
Monoisotopic Mass
166.099379691
Chemical Formula
C10H14O2
IUPAC Name
Not Available
InChI Key
XAZMRAYQQJAAJE-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H14O2/c1-7(2)8-3-4-9(6-11)10(12)5-8/h3-5,7,11-12H,6H2,1-2H3
SMILES
CC(C)C1=CC=C(CO)C(O)=C1
Structure

Calculated Properties

Solubility (ALOGPS)
Not Available
LogS (ALOGPS)
Not Available
LogP (ALOGPS)
Not Available
Hydrogen Acceptors
2
Hydrogen Donors
2
Rotatable Bond Count
2
Polar Surface Area
40.46
Refractivity
49.04560000000001
Polarizability
18.812806974393595
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-2.9063435347935584
pKa (strongest acidic)
9.994698562106699
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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-Hydroxymethyl-5-(1-methylethyl)phenolNot AvailableNot AvailableC10H14O2166.099379691
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