Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID016369

Phytochemical name: Tar acids, methylphenol fraction

Synonymous chemical names:
p-cresol+m-cresol, 3-methylphenol

External chemical identifiers:
CID:CID_21829806, SureChEMBL:SCHEMBL5509205

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Chemical structure information

SMILES:
Cc1cccc(c1)O.Cc1ccc(cc1)O

InChI:
InChI=1S/2C7H8O/c1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6/h2*2-5,8H,1H3

InChIKey:
PHVAHRJIUQBTHJ-UHFFFAOYSA-N

DeepSMILES:
Ccccccc6)O.Ccccccc6))O

Functional groups:
cO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenols

ClassyFire Subclass: Cresols

NP-Likeness score: 0.022

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Chemical structure download