2-(-3-Hydroxy-4-methylphenyl)propan-2-ol
Showing entry for 2-(-3-Hydroxy-4-methylphenyl)propan-2-ol
Identification
- PhytoHub ID
- PHUB001788
- Name
- 2-(-3-Hydroxy-4-methylphenyl)propan-2-ol
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 166.22
- Monoisotopic Mass
- 166.099379691
- Chemical Formula
- C10H14O2
- IUPAC Name
- 5-(2-hydroxypropan-2-yl)-2-methylphenol
- InChI Key
- YZZAPGQHAYCEDP-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C10H14O2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h4-6,11-12H,1-3H3
- SMILES
CC1=CC=C(C=C1O)C(C)(C)O
- Structure
Structure for 2-(-3-Hydroxy-4-methylphenyl)propan-2-ol
Calculated Properties
- Solubility (ALOGPS)
- 7.69e+00 g/l
- LogS (ALOGPS)
- -1.33
- LogP (ALOGPS)
- 1.95
- Hydrogen Acceptors
- 2
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 1
- Polar Surface Area
- 40.46
- Refractivity
- 48.953
- Polarizability
- 18.633508051659653
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -2.9794597950466466
- pKa (strongest acidic)
- 9.708431195174487
- Number of Rings
- 1
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
No external links
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
- Benzene and substituted derivatives
- Super-class
- Benzenoids
- Sub-class
- Phenylpropanes
- Direct Parent Name
- Phenylpropanes
- Alternative Parent Names
- ["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "Aromatic alcohols", "Hydrocarbon derivatives", "Ortho cresols", "Tertiary alcohols", "Toluenes"]
- External Descriptor Annotations
- Not Available
- Substituent Names
- ["1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "Alcohol", "Aromatic alcohol", "Aromatic homomonocyclic compound", "Hydrocarbon derivative", "O-cresol", "Organic oxygen compound", "Organooxygen compound", "Phenol", "Phenylpropane", "Tertiary alcohol", "Toluene"]
Spectra from Online Resources
No spectra information available
Food Sources
No food source information available
Food Sources of its Food Phytochemical(s)
| Food Phytochemical | Food Source | Food Source Group | |||
|---|---|---|---|---|---|
| Carvacrol | Common oregano | Herbs and Spices | Publications | Show | |
| Carvacrol | Common thyme | Herbs and Spices | Publications | Show | |
| Carvacrol | Hop marjoram | Herbs and Spices | Publications | Show | |
| Carvacrol | Nigella (Nigella sativa) | Herbs and Spices | Publications | Show | |
| Carvacrol | Summer savory | Herbs and Spices | Publications | Show | |
| Carvacrol | Sweet marjoram | Herbs and Spices | Publications | Show | |
| Carvacrol | Thyme (Thymus capitatus ) | Herbs and Spices | Publications | Show | |
| Carvacrol | Winter savory | Herbs and Spices | Publications | Show |
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
| Food Phytochemical | Metabolite | Species | Biofluids | Origin | TMax | CMax | Urinary Excretion | Formula | Monoisotopic mass | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Carvacrol | 2-(-3-Hydroxy-4-methylphenyl)propan-2-ol | Not Available | Not Available | Not Available | Not Available | Not Available | Not Available | C10H14O2 | 166.099379691 |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|