2-(3-Methylphenyl)propan-2-ol
Showing entry for 2-(3-Methylphenyl)propan-2-ol
Identification
- PhytoHub ID
- PHUB000965
- Name
- 2-(3-Methylphenyl)propan-2-ol
- Systematic Name
- m-mentha-1,3,5-trien-8-ol
- Synonyms
- m-Cymen-8-ol
- CAS Number
- 5208-37-7
- Average Mass
- 150.221
- Monoisotopic Mass
- 150.104465071
- Chemical Formula
- C10H14O
- IUPAC Name
- 2-(3-methylphenyl)propan-2-ol
- InChI Key
- NARIBLVZTLPQJB-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C10H14O/c1-8-5-4-6-9(7-8)10(2,3)11/h4-7,11H,1-3H3
- SMILES
CC1=CC=CC(=C1)C(C)(C)O
- Structure
Structure for 2-(3-Methylphenyl)propan-2-ol
Calculated Properties
- Solubility (ALOGPS)
- 1.32e+00 g/l
- LogS (ALOGPS)
- -2.06
- LogP (ALOGPS)
- 2.52
- Hydrogen Acceptors
- 1
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 1
- Polar Surface Area
- 20.23
- Refractivity
- 46.9721
- Polarizability
- 17.73949658680398
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -2.9629391610187037
- pKa (strongest acidic)
- 14.624739000871733
- Number of Rings
- 1
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- No
- Veber's Rule
- Yes
- 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 Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Carene | 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
- ["Aromatic alcohols", "Hydrocarbon derivatives", "Tertiary alcohols", "Toluenes"]
- External Descriptor Annotations
- Not Available
- Substituent Names
- ["Alcohol", "Aromatic alcohol", "Aromatic homomonocyclic compound", "Hydrocarbon derivative", "Organic oxygen compound", "Organooxygen compound", "Phenylpropane", "Tertiary alcohol", "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