Summary

IMPPAT Phytochemical identifier: IMPHY017738

Phytochemical name: 4-Isopropylanisole

Synonymous chemical names:
p-isopropyl anisole, p-isopropylanisole

External chemical identifiers:
CID:77783, ZINC:ZINC000002560566, SureChEMBL:SCHEMBL84040, MolPort-001-769-779

---

Chemical structure information

SMILES:
COc1ccc(cc1)C(C)C

InChI:
InChI=1S/C10H14O/c1-8(2)9-4-6-10(11-3)7-5-9/h4-8H,1-3H3

InChIKey:
JULZQKLZSNOEEJ-UHFFFAOYSA-N

DeepSMILES:
COcccccc6))CC)C

Functional groups:
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: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Cumenes

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Menthane monoterpenoids

NP-Likeness score: -0.424

---

Chemical structure download