2,3-Dihydroxy-p-cymene
Showing entry for 2,3-Dihydroxy-p-cymene
Identification
- PhytoHub ID
- PHUB001787
- Name
- 2,3-Dihydroxy-p-cymene
- Systematic Name
- p-menthan-1,3,5-trien-2,3-diol
- Synonyms
- 3-Isopropyl-6-methylpyrocatechol
- CAS Number
- 490-06-2
- Average Mass
- 166.22
- Monoisotopic Mass
- 166.099379691
- Chemical Formula
- C10H14O2
- IUPAC Name
- 3-methyl-6-(propan-2-yl)benzene-1,2-diol
- InChI Key
- LYUBXLHGANLIMX-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C10H14O2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h4-6,11-12H,1-3H3
- SMILES
CC(C)C1=CC=C(C)C(O)=C1O
- Structure
Structure for 2,3-Dihydroxy-p-cymene
Calculated Properties
- Solubility (ALOGPS)
- 3.31e+00 g/l
- LogS (ALOGPS)
- -1.70
- LogP (ALOGPS)
- 2.19
- Hydrogen Acceptors
- 2
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 1
- Polar Surface Area
- 40.46
- Refractivity
- 49.2518
- Polarizability
- 18.678918726713864
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -6.037620061626644
- pKa (strongest acidic)
- 9.886502174920727
- Number of Rings
- 1
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- PubChem
- 95873
Taxonomy as Metabolite
- Family
- Terpenoid metabolites
- Class
- Monoterpenoid metabolites
- Sub-class
- Not Available
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Carvacrol | Terpenoids | Monoterpenoids | Not Available | Show Food Phytochemical |
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Prenol lipids
- Super-class
- Lipids and lipid-like molecules
- Sub-class
- Monoterpenoids
- Direct Parent Name
- Aromatic monoterpenoids
- Alternative Parent Names
- ["1-hydroxy-4-unsubstituted benzenoids", "Catechols", "Cumenes", "Hydrocarbon derivatives", "Meta cresols", "Monocyclic monoterpenoids", "Organooxygen compounds", "Ortho cresols", "Phenylpropanes", "Toluenes"]
- External Descriptor Annotations
- Not Available
- Substituent Names
- ["1-hydroxy-4-unsubstituted benzenoid", "Aromatic homomonocyclic compound", "Aromatic monoterpenoid", "Benzenoid", "Catechol", "Cumene", "Hydrocarbon derivative", "M-cresol", "Monocyclic benzene moiety", "Monocyclic monoterpenoid", "O-cresol", "Organic oxygen compound", "Organooxygen compound", "P-cymene", "Phenol", "Phenylpropane", "Toluene"]
Spectra from Phytohub
Food Sources
No food source information available
Food Sources of its Food Phytochemical(s)
Role as Biomarker of intake
No roles as Biomarker of intake found