Identification

PhytoHub ID
PHUB001015
Name
Menthane-3,8-diol (p-)
Systematic Name
Not Available
Synonyms
  • 2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol
CAS Number
Not Available
Average Mass
172.268
Monoisotopic Mass
172.146329884
Chemical Formula
C10H20O2
IUPAC Name
2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol
InChI Key
LMXFTMYMHGYJEI-UHFFFAOYNA-N
InChI Identifier
InChI=1/C10H20O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3
SMILES
CC1CCC(C(O)C1)C(C)(C)O
Structure

Calculated Properties

Solubility (ALOGPS)
1.06e+01 g/l
LogS (ALOGPS)
-1.21
LogP (ALOGPS)
1.88
Hydrogen Acceptors
2
Hydrogen Donors
2
Rotatable Bond Count
1
Polar Surface Area
40.46
Refractivity
49.182599999999994
Polarizability
20.476813347847628
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-2.8041647266131493
pKa (strongest acidic)
14.614339722218403
Number of Rings
1
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Metabolite

Family
Terpenoid metabolites
Class
Monoterpenoid metabolites
Sub-class
Not Available

Taxonomy of its Food Phytochemical Precursor(s)

Food PhytochemicalFamilyClassSub-class
(-)-MentholTerpenoidsMonoterpenoidsNot AvailableShow Food Phytochemical

Spectra from Online Resources

No spectra information available

Food Sources

No food source information available

Food Sources of its Food Phytochemical(s)

Food PhytochemicalFood SourceFood Source Group
(-)-MentholMintHerbs and Spices PublicationsShow
(-)-MentholPeppermintHerbs and Spices PublicationsShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
(-)-Menthol Menthane-3,8-diol (p-)raturineNot AvailableNot AvailableNot AvailableNot AvailableC10H20O2172.146329884 Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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