Identification

PhytoHub ID
PHUB001826
Name
2-(2-hydroxy-4-methylphenyl)propan-1-ol
Synonyms
Not Available
CAS Number
Not Available
Average Mass
166.22
Monoisotopic Mass
166.099379691
Chemical Formula
C10H14O2
IUPAC Name
2-(1-hydroxypropan-2-yl)-5-methylphenol
InChI Key
CLJPRXFHCRIUKW-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H14O2/c1-7-3-4-9(8(2)6-11)10(12)5-7/h3-5,8,11-12H,6H2,1-2H3
SMILES
CC(CO)C1=CC=C(C)C=C1O
Structure

Calculated Properties

Solubility (ALOGPS)
4.85e+00 g/l
LogS (ALOGPS)
-1.54
LogP (ALOGPS)
1.78
Hydrogen Acceptors
2
Hydrogen Donors
2
Rotatable Bond Count
2
Polar Surface Area
40.46
Refractivity
49.1226
Polarizability
18.71826151015506
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-2.651489905765141
pKa (strongest acidic)
10.455563141702939
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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

PrecursorMetaboliteSpeciesBiofluids
Thymol 2-(2-hydroxy-4-methylphenyl)propan-1-olNot AvailableNot Available
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