Identification

PhytoHub ID
PHUB001789
Name
2-(-3-Hydroxy-4-methylphenyl)propan-1-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-(1-hydroxypropan-2-yl)-2-methylphenol
InChI Key
VHOPRFFVGRPDLW-UHFFFAOYNA-N
InChI Identifier
InChI=1/C10H14O2/c1-7-3-4-9(5-10(7)12)8(2)6-11/h3-5,8,11-12H,6H2,1-2H3
SMILES
CC(CO)C1=CC=C(C)C(O)=C1
Structure

Calculated Properties

Solubility (ALOGPS)
4.29e+00 g/l
LogS (ALOGPS)
-1.59
LogP (ALOGPS)
1.79
Hydrogen Acceptors
2
Hydrogen Donors
2
Rotatable Bond Count
2
Polar Surface Area
40.46
Refractivity
49.122600000000006
Polarizability
18.746630165379358
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-2.629425649877879
pKa (strongest acidic)
10.373819372857572
Number of Rings
1
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Precursor Taxonomy

PrecursorFamilyClassSub-class
CarvacrolTerpenoidsMonoterpenoidsNot AvailableShow Precursor

Spectra

No spectra information available

Metabolism

PrecursorMetaboliteSpeciesBiofluidsOriginFormulaMonoisotopic mass
Carvacrol 2-(-3-Hydroxy-4-methylphenyl)propan-1-olNot AvailableNot AvailableNot AvailableC10H14O2166.099379691
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