Summary

IMPPAT Phytochemical identifier: IMPHY009530

Phytochemical name: 1-Ethyl-2,4-dimethylbenzene

Synonymous chemical names:
1,3-dimethyl-4-ethyl-benzene

External chemical identifiers:
CID:13403, ZINC:ZINC000001699568, SureChEMBL:SCHEMBL168406, MolPort-002-501-618

---

Chemical structure information

SMILES:
CCc1ccc(cc1C)C

InChI:
InChI=1S/C10H14/c1-4-10-6-5-8(2)7-9(10)3/h5-7H,4H2,1-3H3

InChIKey:
MEMBJMDZWKVOTB-UHFFFAOYSA-N

DeepSMILES:
CCcccccc6C)))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: Xylenes

NP-Likeness score: -0.747

---

Chemical structure download