Summary

IMPPAT Phytochemical identifier: IMPHY015146

Phytochemical name: 1,2,3,4-Tetramethylbenzene

Synonymous chemical names:
1,2,3,4-tetramethylbenzene

External chemical identifiers:
CID:10263, ChEMBL:CHEMBL1797278, ChEBI:38997, ZINC:ZINC000001609579, FDASRS:96WT7D2WXJ, SureChEMBL:SCHEMBL37955, MolPort-001-789-996

---

Chemical structure information

SMILES:
Cc1c(C)ccc(c1C)C

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

InChIKey:
UOHMMEJUHBCKEE-UHFFFAOYSA-N

DeepSMILES:
CccC)cccc6C))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

NP-Likeness score: -0.449

---

Chemical structure download