2,6-dimethyl-2-(2-hydroxyethyl)-3,4-dihydro-2H-1-benzopyran
Showing entry for 2,6-dimethyl-2-(2-hydroxyethyl)-3,4-dihydro-2H-1-benzopyran
Identification
- PhytoHub ID
- PHUB002394
- Name
- 2,6-dimethyl-2-(2-hydroxyethyl)-3,4-dihydro-2H-1-benzopyran
- Systematic Name
- 2-(2,6-dimethyl-3,4-dihydrochromen-2-yl)ethanol
- Synonyms
- 2,6-Dimethyl-3,4-dihydro-2H-1-benzopyran-2-ethanol
- CAS Number
- Not Available
- Average Mass
- 206.285
- Monoisotopic Mass
- 206.13067982
- Chemical Formula
- C13H18O2
- IUPAC Name
- 2-(2,6-dimethyl-3,4-dihydro-2H-1-benzopyran-2-yl)ethan-1-ol
- InChI Key
- XYPZIMJRPNTDRA-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C13H18O2/c1-10-3-4-12-11(9-10)5-6-13(2,15-12)7-8-14/h3-4,9,14H,5-8H2,1-2H3
- SMILES
CC1=CC2=C(OC(C)(CCO)CC2)C=C1
- Structure
Structure for 2,6-dimethyl-2-(2-hydroxyethyl)-3,4-dihydro-2H-1-benzopyran
Calculated Properties
- Solubility (ALOGPS)
- 2.40e-01 g/l
- LogS (ALOGPS)
- -2.93
- LogP (ALOGPS)
- 2.88
- Hydrogen Acceptors
- 2
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 2
- Polar Surface Area
- 29.46
- Refractivity
- 60.9391
- Polarizability
- 23.848451075153946
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -2.4136636590550573
- pKa (strongest acidic)
- 15.880512896536219
- Number of Rings
- 2
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- Yes
- MDDR-like Rule
- No
External Links
- PubChem
- 71434444
Taxonomy as Metabolite
- Family
- Miscellaneous phytochemical metabolites
- Class
- Miscellaneous phytochemical metabolites
- Sub-class
- Not Available
Spectra from Online Resources
No spectra information available
Spectra from Phytohub
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Food Sources
No food source information available
Food Sources of its Food Phytochemical(s)
No food source information available of its precursor(s)
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
No metabolism information available
Inter-Individual Variations in Metabolism
No data on inter-individual variations available