5-methylresorcinol

Synonyms: "orcinol", "3,5-dihydroxytoluene", "orcin", "1,3-dihydroxy-5-methylbenzene", "5-methylbenzene-1,3-diol", "5-methyl-1,3-benzenediol"

Source: 5-methylresorcinol is a natural phenolic organic compound that occurs in many species of lichens, such as Roccella tinctoria. It is used in the production of the reddish-brown dye orcein and as a reagent in some chemical tests for pentoses, such as Bial's Test.

Identifiers:

IUPAC Name: 5-methylbenzene-1,3-diol
CAS Number: 504-15-4
PubChem ID: 10436
InChiKey: OIPPWFOQEKKFEE-UHFFFAOYSA-N
Canonical SMILES: CC1=CC(=CC(=C1)O)O

Structural Properties:

Molecular Formula: C₇H₈O₂
Molecular Weight: 124.137

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 2
Number of atoms different from hydrogen: 9

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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