5-hydroxymethyl-2-(1-methylethyl)phenol
Showing entry for 5-hydroxymethyl-2-(1-methylethyl)phenol
Identification
- PhytoHub ID
- PHUB001827
- Name
- 5-hydroxymethyl-2-(1-methylethyl)phenol
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 166.22
- Monoisotopic Mass
- 166.099379691
- Chemical Formula
- C10H14O2
- IUPAC Name
- 5-(hydroxymethyl)-2-isopropylphenol
- InChI Key
- UNNQYEJIPIBHFS-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C10H14O2/c1-7(2)9-4-3-8(6-11)5-10(9)12/h3-5,7,11-12H,6H2,1-2H3
- SMILES
CC(C)C1=CC=C(CO)C=C1O
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 3.37e+00 g/l
- LogS (ALOGPS)
- -1.69
- LogP (ALOGPS)
- 2.01
- Hydrogen Acceptors
- 2
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 2
- Polar Surface Area
- 40.46
- Refractivity
- 49.04560000000001
- Polarizability
- 18.800238603675876
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -2.8042763341605523
- pKa (strongest acidic)
- 9.855097665582642
External Links
No external links
Precursor Taxonomy
| Precursor | Family | Class | Sub-class | |
|---|---|---|---|---|
| Thymol | Terpenoids | Monoterpenoids | Not Available | Show Precursor |
Spectra
No spectra information available
Food Sources
| Precursor | Food Source | Food Source Group | |||
|---|---|---|---|---|---|
| Thymol | Common oregano | Herbs and Spices | Publications | Show | |
| Thymol | Common thyme | Herbs and Spices | Publications | Show |
Metabolism
| Precursor | Metabolite | Species | Biofluids | Formula | Monoisotopic mass | |||
|---|---|---|---|---|---|---|---|---|
| Thymol | 5-hydroxymethyl-2-(1-methylethyl)phenol | Not Available | Not Available | C10H14O2 | 166.099379691 |
5-hydroxymethyl-2-(1-methylethyl)phenol