Summary

IMPPAT Phytochemical identifier: IMPHY012476

Phytochemical name: tert-Butylanisole

Synonymous chemical names:
tert-butylanisole

External chemical identifiers:
CID:270626, ZINC:ZINC000001704118, SureChEMBL:SCHEMBL142899

---

Chemical structure information

SMILES:
COc1ccccc1C(C)(C)C

InChI:
InChI=1S/C11H16O/c1-11(2,3)9-7-5-6-8-10(9)12-4/h5-8H,1-4H3

InChIKey:
YIQUTYFGUKCQCY-UHFFFAOYSA-N

DeepSMILES:
COcccccc6CC)C)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: Phenylpropanes

NP-Likeness score: -0.562

---

Chemical structure download