Identification

PhytoHub ID
PHUB000544
Name
4-Methylcatechol
Systematic Name
Synonyms
  • 4-Methyl-1,2-benzenediol
  • 4-Methyl-1,2-dihydroxybenzene
  • 4-Methylpyrocatechin
  • 4-Methylpyrocatechol
  • Homocatechol
CAS Number
Not Available
Average Mass
124.1372
Monoisotopic Mass
124.0524295
Chemical Formula
C7H8O2
IUPAC Name
4-methyl-1,2-benzenediol
InChI Key
ZBCATMYQYDCTIZ-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3
SMILES
CC1=CC=C(O)C(O)=C1
Structure

Calculated Properties

Solubility (ALOGPS)
3.79e+01 g/l
LogS (ALOGPS)
-0.52
LogP (ALOGPS)
1.02
Hydrogen Acceptors
2
Hydrogen Donors
2
Rotatable Bond Count
0
Polar Surface Area
40.46
Refractivity
35.061
Polarizability
12.819119872718897
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-6.244242730605077
pKa (strongest acidic)
9.552176595160123

Taxonomy

Family
Polyphenols
Class
Phenolic acids
Sub-class
Miscellaneous phenolic acids

Spectra

No spectra information available

Food Sources

No food source information available

Metabolism

No metabolism information available

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