Summary

IMPPAT Phytochemical identifier: IMPHY003192

Phytochemical name: 1-Allyl-2,4-dimethoxybenzene

Synonymous chemical names:
1-allyl-2,4-dimethoxybenze, 1-allyl-2,4-dimethoxybenzene, 1-allyl-24-dimethoxybenzene

External chemical identifiers:
CID:3083821, ChEBI:173832, ZINC:ZINC000014680038, SureChEMBL:SCHEMBL2845262

---

Chemical structure information

SMILES:
C=CCc1ccc(cc1OC)OC

InChI:
InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)8-11(9)13-3/h4,6-8H,1,5H2,2-3H3

InChIKey:
HZLYHZSHPUFYAR-UHFFFAOYSA-N

DeepSMILES:
C=CCcccccc6OC))))OC

Functional groups:
C=CC, 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: Methoxybenzenes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylpropanoids (C6-C3)

NP Classifier Class: Cinnamic acids and derivatives

NP-Likeness score: 0.158

---

Chemical structure download