Summary

IMPPAT Phytochemical identifier: IMPHY015233

Phytochemical name: 2,5-Dimethylstyrene

Synonymous chemical names:
2,5-dimethyl styrene, 2,5-dimethyl styrene+, 2,5-dimethylstyrene, 2,5‐dimethyl styrene

External chemical identifiers:
CID:16265, ZINC:ZINC000001699069, FDASRS:RTM6P5K8CA, SureChEMBL:SCHEMBL87447, MolPort-001-769-007

---

Chemical structure information

SMILES:
C=Cc1cc(C)ccc1C

InChI:
InChI=1S/C10H12/c1-4-10-7-8(2)5-6-9(10)3/h4-7H,1H2,2-3H3

InChIKey:
DBWWINQJTZYDFK-UHFFFAOYSA-N

DeepSMILES:
C=CcccC)ccc6C

Functional groups:
cC=C

---

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: Styrenes

NP Classifier Biosynthetic pathway: Terpenoids

NP-Likeness score: -0.155

---

Chemical structure download