Summary

IMPPAT Phytochemical identifier: IMPHY014290

Phytochemical name: 2,3-Dimethoxy-1-methyl-4-(propan-2-yl)benzene

Synonymous chemical names:
2,3-di-meo-p-cymene, 2,3-dimeo-p-cymene, 2,3-dimethoxy-p-cymene

External chemical identifiers:
CID:14058989, SureChEMBL:SCHEMBL17084601

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Chemical structure information

SMILES:
COc1c(ccc(c1OC)C)C(C)C

InChI:
InChI=1S/C12H18O2/c1-8(2)10-7-6-9(3)11(13-4)12(10)14-5/h6-8H,1-5H3

InChIKey:
REQCNFPLPYDNEG-UHFFFAOYSA-N

DeepSMILES:
COcccccc6OC)))C))))CC)C

Functional groups:
cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Menthane monoterpenoids

NP-Likeness score: 0.095

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Chemical structure download