Summary

IMPPAT Phytochemical identifier: IMPHY016168

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

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

External chemical identifiers:
CID:8404, ChEMBL:CHEMBL1575635, ChEBI:35008, ZINC:ZINC000008437660, FDASRS:FT6XMI58YQ, SureChEMBL:SCHEMBL8355, MolPort-003-925-014

---

Chemical structure information

SMILES:
C1CCc2c(C1)cccc2

InChI:
InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2

InChIKey:
CXWXQJXEFPUFDZ-UHFFFAOYSA-N

DeepSMILES:
CCCccC6)cccc6

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CCCC2

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Tetralins

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: -0.367

---

Chemical structure download