Summary

IMPPAT Phytochemical identifier: IMPHY017238

Phytochemical name: 2-Isopropyl-4-methoxy-5-methyl-phenol

Synonymous chemical names:
p-methoxy thymol

External chemical identifiers:
CID:251510, SureChEMBL:SCHEMBL1494397

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Chemical structure information

SMILES:
COc1cc(C(C)C)c(cc1C)O

InChI:
InChI=1S/C11H16O2/c1-7(2)9-6-11(13-4)8(3)5-10(9)12/h5-7,12H,1-4H3

InChIKey:
BXIJYKUDHDLSQP-UHFFFAOYSA-N

DeepSMILES:
COcccCC)C))ccc6C)))O

Functional groups:
cO, 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: 0.592

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Chemical structure download