2,3-Dihydroxy-p-cymene
Showing entry for 2,3-Dihydroxy-p-cymene
Identification
- PhytoHub ID
- PHUB001787
- Name
- 2,3-Dihydroxy-p-cymene
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 166.22
- Monoisotopic Mass
- 166.099379691
- Chemical Formula
- C10H14O2
- IUPAC Name
- 3-isopropyl-6-methylbenzene-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
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)
- -6.037620061626645
- pKa (strongest acidic)
- 9.886502174920727
External Links
No external links
Precursor Taxonomy
| Precursor | Family | Class | Sub-class | |
|---|---|---|---|---|
| Carvacrol | Terpenoids | Monoterpenoids | Not Available | Show Precursor |
Spectra
No spectra information available
Food Sources
| Precursor | 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 |
Metabolism
| Precursor | Metabolite | Species | Biofluids | Formula | Monoisotopic mass | |||
|---|---|---|---|---|---|---|---|---|
| Carvacrol | 2,3-Dihydroxy-p-cymene | Not Available | Not Available | C10H14O2 | 166.099379691 |
2,3-Dihydroxy-p-cymene