Summary

IMPPAT Phytochemical identifier: IMPHY000277

Phytochemical name: 5-Isopropyl-4-methoxy-2-methylphenol

Synonymous chemical names:
2-hydroxy-5-methoxy-p-cymene

External chemical identifiers:
CID:11105955

---

Chemical structure information

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

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

InChIKey:
NXUKKIRUGGHAKL-UHFFFAOYSA-N

DeepSMILES:
COcccC)ccc6CC)C))))O

Functional groups:
cO, cOC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

---

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: 0.685

---

Chemical structure download