Identification

PhytoHub ID
PHUB001827
Name
5-hydroxymethyl-2-(1-methylethyl)phenol
Synonyms
Not Available
CAS Number
Not Available
Average Mass
166.22
Monoisotopic Mass
166.099379691
Chemical Formula
C10H14O2
IUPAC Name
5-(hydroxymethyl)-2-isopropylphenol
InChI Key
UNNQYEJIPIBHFS-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H14O2/c1-7(2)9-4-3-8(6-11)5-10(9)12/h3-5,7,11-12H,6H2,1-2H3
SMILES
CC(C)C1=CC=C(CO)C=C1O
Structure

Calculated Properties

Solubility (ALOGPS)
3.37e+00 g/l
LogS (ALOGPS)
-1.69
LogP (ALOGPS)
2.01
Hydrogen Acceptors
2
Hydrogen Donors
2
Rotatable Bond Count
2
Polar Surface Area
40.46
Refractivity
49.04560000000001
Polarizability
18.800238603675876
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-2.8042763341605523
pKa (strongest acidic)
9.855097665582642
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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 5-hydroxymethyl-2-(1-methylethyl)phenolNot AvailableNot AvailableC10H14O2166.099379691
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