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: 124,1372

Pharmacophore Features:

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

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Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

GENE-TOX

Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors


Lindsay RH, Hill JB, Gaitan E, Cooksey RC, Jolley RL. 1992. Antithyroid effects of coal-derived pollutants. J Toxicol Environ Health 37(4):467-481.

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