Identification

PhytoHub ID
PHUB000031
Name
Carvacrol
Systematic Name
Not Available
Synonyms
  • 2-p-cymenol
  • Isothymol
CAS Number
Not Available
Average Mass
150.221
Monoisotopic Mass
150.104465071
Chemical Formula
C10H14O
IUPAC Name
carvacrol
InChI Key
RECUKUPTGUEGMW-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3
SMILES
CC(C)C1=CC(O)=C(C)C=C1
Structure

Calculated Properties

Solubility (ALOGPS)
4.70e-01 g/l
LogS (ALOGPS)
-2.50
LogP (ALOGPS)
3.20
Hydrogen Acceptors
1
Hydrogen Donors
1
Rotatable Bond Count
1
Polar Surface Area
20.23
Refractivity
47.2709
Polarizability
17.863887111946262
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-5.466114337746285
pKa (strongest acidic)
10.422968132468661
Number of Rings
1
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
No
Veber's Rule
Yes
MDDR-like Rule
No

Taxonomy

Family
Terpenoids
Class
Monoterpenoids
Sub-class
Not Available

Spectra

No spectra information available

Metabolism

PrecursorMetaboliteSpeciesBiofluidsOriginFormulaMonoisotopic mass
Carvacrol 2,3-Dihydroxy-p-cymeneNot AvailableNot AvailableNot AvailableC10H14O2166.099379691
Carvacrol 2-(-3-Hydroxy-4-methylphenyl)propan-2-olNot AvailableNot AvailableNot AvailableC10H14O2166.099379691
Carvacrol 2-(-3-Hydroxy-4-methylphenyl)propan-1-olNot AvailableNot AvailableNot AvailableC10H14O2166.099379691
Carvacrol 2-Hydroxymethyl-5-(1-methylethyl)phenolNot AvailableNot AvailableNot AvailableC10H14O2166.099379691
Carvacrol 2-(3-Hydroxy-4-methylphenyl)propionic acidNot AvailableNot AvailableNot AvailableC10H12O3180.078644246
Carvacrol 2-Hydroxymethyl-4-(1-methylethyl)benzoic acidNot AvailableNot AvailableNot AvailableC10H12O3180.078644246
Carvacrol 2-(4-Hydroxymethyl-3-hydroxyphenyl)propan-1-olNot AvailableNot AvailableNot AvailableC10H10O5210.052823422
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