Identification

PhytoHub ID
PHUB001829
Name
2-(4-hydroxymethyl-2-hydroxyphenyl)propan-1-ol
Synonyms
Not Available
CAS Number
Not Available
Average Mass
182.219
Monoisotopic Mass
182.094294311
Chemical Formula
C10H14O3
IUPAC Name
Not Available
InChI Key
QOHXGIFTUIWUKS-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H14O3/c1-7(5-11)9-3-2-8(6-12)4-10(9)13/h2-4,7,11-13H,5-6H2,1H3
SMILES
CC(CO)C1=CC=C(CO)C=C1O
Structure

Calculated Properties

Solubility (ALOGPS)
Not Available
LogS (ALOGPS)
Not Available
LogP (ALOGPS)
Not Available
Hydrogen Acceptors
3
Hydrogen Donors
3
Rotatable Bond Count
3
Polar Surface Area
60.69
Refractivity
50.89730000000001
Polarizability
19.680850397972755
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-2.6609304192661005
pKa (strongest acidic)
9.718017994415339
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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
ThymolNigella (Nigella sativa)Herbs and Spices PublicationsShow

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Thymol 2-(4-hydroxymethyl-2-hydroxyphenyl)propan-1-olNot AvailableNot AvailableC10H14O3182.094294311
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