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

Metabolism

PrecursorMetaboliteSpeciesBiofluids
Thymol 2-(4-hydroxymethyl-2-hydroxyphenyl)propan-1-olNot AvailableNot Available
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